2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone

C16H23NO — CID 63622437

IUPAC2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)CN1CCCC(C)CC1
InChIInChI=1S/C16H23NO/c1-13-6-5-10-17(11-9-13)12-16(18)15-8-4-3-7-14(15)2/h3-4,7-8,13H,5-6,9-12H2,1-2H3
InChIKeyJFJOJKJSTAFNGE-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.30
Rot. Bonds3

About 2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone

2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone (PubChem CID 63622437) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone
PubChem CID63622437
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)CN1CCCC(C)CC1
InChIInChI=1S/C16H23NO/c1-13-6-5-10-17(11-9-13)12-16(18)15-8-4-3-7-14(15)2/h3-4,7-8,13H,5-6,9-12H2,1-2H3
InChIKeyJFJOJKJSTAFNGE-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone 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

1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone
CID 63623184
1-(2,5-dimethylphenyl)-2-(4-methylazepan-1-yl)ethanone
CID 63622261
1-(2-methylphenyl)-2-(4-methylsulfanylazepan-1-yl)ethanone
CID 114237550
2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone
CID 43797125
1-(1-benzofuran-3-yl)-2-(4-methylazepan-1-yl)ethanone
CID 63623178
1-(2-methylphenyl)-2-(1,4-thiazepan-4-yl)ethanone
CID 62030884
N-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide
CID 103196880
2-(3,4-dimethylpiperazin-1-yl)-1-(2-methylphenyl)ethanone
CID 63610775
2-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylphenyl)ethanone
CID 82691118
2-(4-methylazepan-1-yl)-1-thiophen-2-ylethanone
CID 63622264
1-(2-bromophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219429
1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 4042984

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone (CID 63622437) is 2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone is Cc1ccccc1C(=O)CN1CCCC(C)CC1.
What is the InChIKey of 2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone?
The InChIKey is JFJOJKJSTAFNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13-6-5-10-17(11-9-13)12-16(18)15-8-4-3-7-14(15)2/h3-4,7-8,13H,5-6,9-12H2,1-2H3.
What are the key properties of 2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone?
2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone has a molecular weight of 245.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 63622437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).