2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide

C17H27N3O — CID 104979577

IUPAC2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(C)C1CCCNCC1)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-14(15-7-4-3-5-8-15)19-17(21)13-20(2)16-9-6-11-18-12-10-16/h3-5,7-8,14,16,18H,6,9-13H2,1-2H3,(H,19,21)
InChIKeyOVUAXBWOQXBELA-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.94
Rot. Bonds5

About 2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide

2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide (PubChem CID 104979577) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide
PubChem CID104979577
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(C)C1CCCNCC1)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-14(15-7-4-3-5-8-15)19-17(21)13-20(2)16-9-6-11-18-12-10-16/h3-5,7-8,14,16,18H,6,9-13H2,1-2H3,(H,19,21)
InChIKeyOVUAXBWOQXBELA-UHFFFAOYSA-N
XLogP1.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide 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

2-[cyclohexyl(methyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 8004439
2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 104979554
N-[(1S)-1-(3,5-difluorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 99935705
N-(1-phenylethyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119933122
N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 77090509
N-[1-(2-chlorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912445
2-[azepan-4-yl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 104979582
N-[1-(4-chlorophenyl)ethyl]-2-[cycloheptyl(methyl)amino]acetamide
CID 55469245
N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide
CID 78953201
2-[cycloheptyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 18291170
4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54817498
2-[methyl(piperidin-4-yl)amino]-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]acetamide
CID 125442607

Frequently Asked Questions

What is the IUPAC name of 2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide (CID 104979577) is 2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide is CC(NC(=O)CN(C)C1CCCNCC1)c1ccccc1.
What is the InChIKey of 2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide?
The InChIKey is OVUAXBWOQXBELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(15-7-4-3-5-8-15)19-17(21)13-20(2)16-9-6-11-18-12-10-16/h3-5,7-8,14,16,18H,6,9-13H2,1-2H3,(H,19,21).
What are the key properties of 2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide?
2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 104979577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).