N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide

C16H23N3O2 — CID 119528362

IUPACN-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide
SMILESNC(CNC(=O)CN1CCCCCC1=O)c1ccccc1
InChIInChI=1S/C16H23N3O2/c17-14(13-7-3-1-4-8-13)11-18-15(20)12-19-10-6-2-5-9-16(19)21/h1,3-4,7-8,14H,2,5-6,9-12,17H2,(H,18,20)
InChIKeyYLWYLJGFFWCBTC-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.21
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide

N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 119528362) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide
PubChem CID119528362
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide
SMILESNC(CNC(=O)CN1CCCCCC1=O)c1ccccc1
InChIInChI=1S/C16H23N3O2/c17-14(13-7-3-1-4-8-13)11-18-15(20)12-19-10-6-2-5-9-16(19)21/h1,3-4,7-8,14H,2,5-6,9-12,17H2,(H,18,20)
InChIKeyYLWYLJGFFWCBTC-UHFFFAOYSA-N
XLogP1.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 119528982
dimethyl-[(1R)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenylethyl]azanium
CID 9464030
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxoazocan-1-yl)acetamide
CID 122132393
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 111452400
N-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide
CID 55763443
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119171385
N-[3-(furan-2-yl)-3-phenylpropyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 131923564
2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide
CID 47116839
4-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]benzoic acid
CID 119165488
2-[[2-(2-oxoazepan-1-yl)acetyl]amino]acetamide
CID 15308077
4-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanoic acid
CID 82009294
N-(2-amino-2-phenylethyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride
CID 119529433

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide (CID 119528362) is N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide is NC(CNC(=O)CN1CCCCCC1=O)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is YLWYLJGFFWCBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-14(13-7-3-1-4-8-13)11-18-15(20)12-19-10-6-2-5-9-16(19)21/h1,3-4,7-8,14H,2,5-6,9-12,17H2,(H,18,20).
What are the key properties of N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide?
N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 119528362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).