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

C17H27N3O — CID 104979582

IUPAC2-[azepan-4-yl(methyl)amino]-N-(2-phenylethyl)acetamide
SMILESCN(CC(=O)NCCc1ccccc1)C1CCCNCC1
InChIInChI=1S/C17H27N3O/c1-20(16-8-5-11-18-12-10-16)14-17(21)19-13-9-15-6-3-2-4-7-15/h2-4,6-7,16,18H,5,8-14H2,1H3,(H,19,21)
InChIKeyKQTDOCJERKEXHZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.42
Rot. Bonds6

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

2-[azepan-4-yl(methyl)amino]-N-(2-phenylethyl)acetamide (PubChem CID 104979582) 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-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[azepan-4-yl(methyl)amino]-N-(2-phenylethyl)acetamide
PubChem CID104979582
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[azepan-4-yl(methyl)amino]-N-(2-phenylethyl)acetamide
SMILESCN(CC(=O)NCCc1ccccc1)C1CCCNCC1
InChIInChI=1S/C17H27N3O/c1-20(16-8-5-11-18-12-10-16)14-17(21)19-13-9-15-6-3-2-4-7-15/h2-4,6-7,16,18H,5,8-14H2,1H3,(H,19,21)
InChIKeyKQTDOCJERKEXHZ-UHFFFAOYSA-N
XLogP1.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[2-(3-chlorophenyl)ethyl]-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63641962
2-[azepan-4-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 104979446
2-[azepan-4-yl(methyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 104979568
N-methyl-N-(2-phenylethyl)azepan-4-amine
CID 65486182
2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 104979577
N-[2-(furan-2-yl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 122567027
N-(azepan-4-yl)-N-methyl-3-phenylpropanamide
CID 104974503
2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 107173449
2-[methyl(piperidin-4-yl)amino]-N-[(1R,2R)-2-phenylmethoxycyclopentyl]acetamide
CID 77080730
N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62690707
2-[azepan-4-yl(methyl)amino]acetic acid
CID 107173147
N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide
CID 107173328

Frequently Asked Questions

What is the IUPAC name of 2-[azepan-4-yl(methyl)amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[azepan-4-yl(methyl)amino]-N-(2-phenylethyl)acetamide (CID 104979582) is 2-[azepan-4-yl(methyl)amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[azepan-4-yl(methyl)amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[azepan-4-yl(methyl)amino]-N-(2-phenylethyl)acetamide is CN(CC(=O)NCCc1ccccc1)C1CCCNCC1.
What is the InChIKey of 2-[azepan-4-yl(methyl)amino]-N-(2-phenylethyl)acetamide?
The InChIKey is KQTDOCJERKEXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-20(16-8-5-11-18-12-10-16)14-17(21)19-13-9-15-6-3-2-4-7-15/h2-4,6-7,16,18H,5,8-14H2,1H3,(H,19,21).
What are the key properties of 2-[azepan-4-yl(methyl)amino]-N-(2-phenylethyl)acetamide?
2-[azepan-4-yl(methyl)amino]-N-(2-phenylethyl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 1.42, 6 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-(2-phenylethyl)acetamide is sourced from PubChem (CID 104979582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).