N-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide

C18H19NO3 — CID 9246368

IUPACN-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide
SMILESCOc1ccccc1CNC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-22-17-10-6-5-9-15(17)13-19-18(21)12-11-16(20)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyHPSWZUFBAGKYRF-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.97
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide

N-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide (PubChem CID 9246368) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide
PubChem CID9246368
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide
SMILESCOc1ccccc1CNC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-22-17-10-6-5-9-15(17)13-19-18(21)12-11-16(20)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyHPSWZUFBAGKYRF-UHFFFAOYSA-N
XLogP2.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide
CID 110410161
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 55404534
N-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide
CID 110838952
N-[(2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26734453
N-[(2-methoxyphenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344820
2-anilino-N-[(2-methoxyphenyl)methyl]acetamide
CID 60646954
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9246179
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 9151041
N-[(2-methoxyphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 110468458
4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide
CID 110411382
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide (CID 9246368) is N-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide is COc1ccccc1CNC(=O)CCC(=O)c1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide?
The InChIKey is HPSWZUFBAGKYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-22-17-10-6-5-9-15(17)13-19-18(21)12-11-16(20)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,19,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide?
N-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide has a molecular weight of 297.35 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 9246368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).