CAS 144037-62-7 manufacturers and suppliers on PharmaCompass

Chemistry

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Also known as: 144037-62-7, Dtxsid00771748
Molecular Formula
C22H28N2O2
Molecular Weight
352.5  g/mol
InChI Key
OXSWOGFECDXVAC-UHFFFAOYSA-N

CAS 144037-62-7
1 2D Structure

CAS 144037-62-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[4-(methoxymethyl)-1-phenylpiperidin-4-yl]-N-phenylpropanamide
2.1.2 InChI
InChI=1S/C22H28N2O2/c1-3-21(25)24(20-12-8-5-9-13-20)22(18-26-2)14-16-23(17-15-22)19-10-6-4-7-11-19/h4-13H,3,14-18H2,1-2H3
2.1.3 InChI Key
OXSWOGFECDXVAC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)C3=CC=CC=C3)COC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 144037-62-7

2. Dtxsid00771748

2.3 Create Date
2013-05-21
3 Chemical and Physical Properties
Molecular Weight 352.5 g/mol
Molecular Formula C22H28N2O2
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass352.215078140 g/mol
Monoisotopic Mass352.215078140 g/mol
Topological Polar Surface Area32.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity433
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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