(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide

C22H22N2O2 — CID 26404777

IUPAC(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
SMILESCOc1ccc([C@@H](CC(=O)NCc2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O2/c1-26-20-12-10-18(11-13-20)21(17-7-3-2-4-8-17)15-22(25)24-16-19-9-5-6-14-23-19/h2-14,21H,15-16H2,1H3,(H,24,25)/t21-/m0/s1
InChIKeyKLYLSYRGLPTLCA-NRFANRHFSA-N
MW346.43 g/mol
LogP3.93
Rot. Bonds7

About (3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide

(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 26404777) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is (3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
PubChem CID26404777
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
SMILESCOc1ccc([C@@H](CC(=O)NCc2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O2/c1-26-20-12-10-18(11-13-20)21(17-7-3-2-4-8-17)15-22(25)24-16-19-9-5-6-14-23-19/h2-14,21H,15-16H2,1H3,(H,24,25)/t21-/m0/s1
InChIKeyKLYLSYRGLPTLCA-NRFANRHFSA-N
XLogP3.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide
CID 25375332
(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 92647901
(3R)-3-(4-methoxyphenyl)-3-phenyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide
CID 97282762
3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 45194858
(3R)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 42522519
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
2-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 108999224
N-methoxy-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 144913522
2-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 25252608
3-(3,5-dimethoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 42784158
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 2878917

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of (3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide (CID 26404777) is (3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for (3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for (3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide is COc1ccc([C@@H](CC(=O)NCc2ccccn2)c2ccccc2)cc1.
What is the InChIKey of (3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is KLYLSYRGLPTLCA-NRFANRHFSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-26-20-12-10-18(11-13-20)21(17-7-3-2-4-8-17)15-22(25)24-16-19-9-5-6-14-23-19/h2-14,21H,15-16H2,1H3,(H,24,25)/t21-/m0/s1.
What are the key properties of (3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide?
(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 346.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 26404777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).