(2S)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide

C22H20N2O4 — CID 1096698

IUPAC(2S)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide
SMILESCOc1ccc(CNC(=O)[C@H](C(=O)c2ccccc2)n2ccccc2=O)cc1
InChIInChI=1S/C22H20N2O4/c1-28-18-12-10-16(11-13-18)15-23-22(27)20(24-14-6-5-9-19(24)25)21(26)17-7-3-2-4-8-17/h2-14,20H,15H2,1H3,(H,23,27)/t20-/m0/s1
InChIKeyYYQMRTANTHMOMK-FQEVSTJZSA-N
MW376.41 g/mol
LogP2.60
Rot. Bonds7

About (2S)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide

(2S)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide (PubChem CID 1096698) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is (2S)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide
PubChem CID1096698
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name(2S)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide
SMILESCOc1ccc(CNC(=O)[C@H](C(=O)c2ccccc2)n2ccccc2=O)cc1
InChIInChI=1S/C22H20N2O4/c1-28-18-12-10-16(11-13-18)15-23-22(27)20(24-14-6-5-9-19(24)25)21(26)17-7-3-2-4-8-17/h2-14,20H,15H2,1H3,(H,23,27)/t20-/m0/s1
InChIKeyYYQMRTANTHMOMK-FQEVSTJZSA-N
XLogP2.60
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide
CID 3160495
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
4-[(4-methoxyphenyl)methylamino]-3-methyl-4-oxobutanoic acid
CID 85397704
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 6543556
N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 2897100
N-benzyl-2-[(4-methoxyphenyl)methylamino]-2-phenylacetamide
CID 68961679
N-[(4-methoxyphenyl)methyl]-2-phenoxy-2-phenylacetamide
CID 46484867
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
1-[1-(4-methoxyphenyl)ethyl]pyridin-2-one
CID 102218490
2,3-bis[(4-methoxyphenyl)methyl]-1,4-diphenylbutane-1,4-dione
CID 14434324

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide?
The IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide (CID 1096698) is (2S)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide is COc1ccc(CNC(=O)[C@H](C(=O)c2ccccc2)n2ccccc2=O)cc1.
What is the InChIKey of (2S)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide?
The InChIKey is YYQMRTANTHMOMK-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-28-18-12-10-16(11-13-18)15-23-22(27)20(24-14-6-5-9-19(24)25)21(26)17-7-3-2-4-8-17/h2-14,20H,15H2,1H3,(H,23,27)/t20-/m0/s1.
What are the key properties of (2S)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide?
(2S)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide has a molecular weight of 376.41 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide is sourced from PubChem (CID 1096698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).