2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide

C18H26N2O2 — CID 18269301

IUPAC2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide
SMILESCC(=O)C(Cc1ccccc1)NC(=O)CN1CCCCCC1
InChIInChI=1S/C18H26N2O2/c1-15(21)17(13-16-9-5-4-6-10-16)19-18(22)14-20-11-7-2-3-8-12-20/h4-6,9-10,17H,2-3,7-8,11-14H2,1H3,(H,19,22)
InChIKeyKXAFCWTZYBGAQP-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.18
Rot. Bonds6

About 2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide

2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide (PubChem CID 18269301) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide
PubChem CID18269301
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide
SMILESCC(=O)C(Cc1ccccc1)NC(=O)CN1CCCCCC1
InChIInChI=1S/C18H26N2O2/c1-15(21)17(13-16-9-5-4-6-10-16)19-18(22)14-20-11-7-2-3-8-12-20/h4-6,9-10,17H,2-3,7-8,11-14H2,1H3,(H,19,22)
InChIKeyKXAFCWTZYBGAQP-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azocan-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 2496918
2-(4-benzylpiperazin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7809338
2-(4-methylpiperidin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8543566
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 46571515
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9130407
2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 46662855
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9130410
methyl 2-[[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate
CID 42923933
methyl (2R)-2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-3-phenylpropanoate
CID 9276582
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 41253691
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 46445403
2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8704361

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide (CID 18269301) is 2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide is CC(=O)C(Cc1ccccc1)NC(=O)CN1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide?
The InChIKey is KXAFCWTZYBGAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-15(21)17(13-16-9-5-4-6-10-16)19-18(22)14-20-11-7-2-3-8-12-20/h4-6,9-10,17H,2-3,7-8,11-14H2,1H3,(H,19,22).
What are the key properties of 2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide?
2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide has a molecular weight of 302.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 18269301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).