4-oxo-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenylbutanamide

C23H22N2O3 — CID 47071053

IUPAC4-oxo-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)NCc1ccc(Cn2ccccc2=O)cc1
InChIInChI=1S/C23H22N2O3/c26-21(20-6-2-1-3-7-20)13-14-22(27)24-16-18-9-11-19(12-10-18)17-25-15-5-4-8-23(25)28/h1-12,15H,13-14,16-17H2,(H,24,27)
InChIKeyKUJGOKXULYROMU-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.18
Rot. Bonds8

About 4-oxo-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenylbutanamide

4-oxo-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenylbutanamide (PubChem CID 47071053) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-oxo-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenylbutanamide.

Molecular Properties

Compound Name4-oxo-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenylbutanamide
PubChem CID47071053
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name4-oxo-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)NCc1ccc(Cn2ccccc2=O)cc1
InChIInChI=1S/C23H22N2O3/c26-21(20-6-2-1-3-7-20)13-14-22(27)24-16-18-9-11-19(12-10-18)17-25-15-5-4-8-23(25)28/h1-12,15H,13-14,16-17H2,(H,24,27)
InChIKeyKUJGOKXULYROMU-UHFFFAOYSA-N
XLogP3.18
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
CID 60577099
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-4-phenylbutanamide
CID 55742680
N-[(4-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979441
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 27686969
2-ethyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]butanamide
CID 51092538
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 78863438
2-(2-oxo-1-pyridinyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24643030
N-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]methyl]-6-oxo-6-phenylhexanamide
CID 47056810
4-oxo-4-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 40709596
1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 60572861
4-[[(5-oxo-5-phenylpentanoyl)amino]methyl]benzoic acid
CID 108796178
methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate
CID 28833817

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenylbutanamide?
The IUPAC name of 4-oxo-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenylbutanamide (CID 47071053) is 4-oxo-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenylbutanamide.
What is the SMILES notation for 4-oxo-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenylbutanamide?
The canonical SMILES for 4-oxo-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenylbutanamide is O=C(CCC(=O)c1ccccc1)NCc1ccc(Cn2ccccc2=O)cc1.
What is the InChIKey of 4-oxo-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenylbutanamide?
The InChIKey is KUJGOKXULYROMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-21(20-6-2-1-3-7-20)13-14-22(27)24-16-18-9-11-19(12-10-18)17-25-15-5-4-8-23(25)28/h1-12,15H,13-14,16-17H2,(H,24,27).
What are the key properties of 4-oxo-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenylbutanamide?
4-oxo-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenylbutanamide has a molecular weight of 374.44 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenylbutanamide is sourced from PubChem (CID 47071053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).