N-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2-phenylacetamide

C23H28N2O3 — CID 42920541

IUPACN-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2-phenylacetamide
SMILESCOc1ccc(C2CCCCCN2C(=O)CNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C23H28N2O3/c1-28-20-13-11-19(12-14-20)21-10-6-3-7-15-25(21)23(27)17-24-22(26)16-18-8-4-2-5-9-18/h2,4-5,8-9,11-14,21H,3,6-7,10,15-17H2,1H3,(H,24,26)
InChIKeyALQYGVWETJTSJT-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.50
Rot. Bonds6

About N-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2-phenylacetamide

N-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2-phenylacetamide (PubChem CID 42920541) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2-phenylacetamide
PubChem CID42920541
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2-phenylacetamide
SMILESCOc1ccc(C2CCCCCN2C(=O)CNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C23H28N2O3/c1-28-20-13-11-19(12-14-20)21-10-6-3-7-15-25(21)23(27)17-24-22(26)16-18-8-4-2-5-9-18/h2,4-5,8-9,11-14,21H,3,6-7,10,15-17H2,1H3,(H,24,26)
InChIKeyALQYGVWETJTSJT-UHFFFAOYSA-N
XLogP3.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]urea
CID 60541219
4-bromo-N-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]benzamide
CID 112799127
2-anilino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 119687297
1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 94457866
N-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 42920543
methyl N-[3-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]carbamate
CID 95310586
3,5-dimethoxy-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
CID 41264676
3,5-dimethoxy-N-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
CID 41264677
1-[2-(4-methoxyphenyl)azepan-1-yl]-4-(methylamino)butan-1-one
CID 119695939
3-cyclopentyl-1-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]propan-1-one
CID 95575791
3-(3,5-dimethoxyphenyl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propan-1-one
CID 31797364
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 112766807

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2-phenylacetamide (CID 42920541) is N-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2-phenylacetamide is COc1ccc(C2CCCCCN2C(=O)CNC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is ALQYGVWETJTSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-28-20-13-11-19(12-14-20)21-10-6-3-7-15-25(21)23(27)17-24-22(26)16-18-8-4-2-5-9-18/h2,4-5,8-9,11-14,21H,3,6-7,10,15-17H2,1H3,(H,24,26).
What are the key properties of N-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2-phenylacetamide?
N-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 380.49 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 42920541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).