N-methyl-5-[(2R)-2-(3-methylphenyl)azepan-1-yl]-5-oxopentanamide

C19H28N2O2 — CID 99698305

IUPACN-methyl-5-[(2R)-2-(3-methylphenyl)azepan-1-yl]-5-oxopentanamide
SMILESCNC(=O)CCCC(=O)N1CCCCC[C@@H]1c1cccc(C)c1
InChIInChI=1S/C19H28N2O2/c1-15-8-6-9-16(14-15)17-10-4-3-5-13-21(17)19(23)12-7-11-18(22)20-2/h6,8-9,14,17H,3-5,7,10-13H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyIFFCLIQQBHYIOX-QGZVFWFLSA-N
MW316.45 g/mol
LogP3.36
Rot. Bonds5

About N-methyl-5-[(2R)-2-(3-methylphenyl)azepan-1-yl]-5-oxopentanamide

N-methyl-5-[(2R)-2-(3-methylphenyl)azepan-1-yl]-5-oxopentanamide (PubChem CID 99698305) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-methyl-5-[(2R)-2-(3-methylphenyl)azepan-1-yl]-5-oxopentanamide.

Molecular Properties

Compound NameN-methyl-5-[(2R)-2-(3-methylphenyl)azepan-1-yl]-5-oxopentanamide
PubChem CID99698305
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-methyl-5-[(2R)-2-(3-methylphenyl)azepan-1-yl]-5-oxopentanamide
SMILESCNC(=O)CCCC(=O)N1CCCCC[C@@H]1c1cccc(C)c1
InChIInChI=1S/C19H28N2O2/c1-15-8-6-9-16(14-15)17-10-4-3-5-13-21(17)19(23)12-7-11-18(22)20-2/h6,8-9,14,17H,3-5,7,10-13H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyIFFCLIQQBHYIOX-QGZVFWFLSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-5-[(2R)-2-(3-methylphenyl)azepan-1-yl]-5-oxopentanamide 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

4-amino-1-[2-(3-methylphenyl)azepan-1-yl]butan-1-one
CID 119328740
3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 83629742
1-[3-[(2R)-2-(3-methylphenyl)azepan-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
CID 95629657
3-[4-[(2S)-2-(3-methylphenyl)azepan-1-yl]-4-oxobutyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 97007106
5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-5-oxopentanamide
CID 99788500
ethyl 3-[[(2R)-2-(3-methylphenyl)azepane-1-carbonyl]amino]propanoate
CID 93076906
2-(3-methylphenyl)-N-propan-2-ylazepane-1-carboxamide
CID 53013135
4-[[2-(3-methylphenyl)azepane-1-carbonyl]amino]butanoic acid
CID 122023212
4-amino-3-methoxy-1-[2-(3-methylphenyl)azepan-1-yl]butan-1-one
CID 120592694
2-chloro-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166174148
2-(1-hydroxyethenylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166775775
(2R)-N-(3-methylbutyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076879

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2R)-2-(3-methylphenyl)azepan-1-yl]-5-oxopentanamide?
The IUPAC name of N-methyl-5-[(2R)-2-(3-methylphenyl)azepan-1-yl]-5-oxopentanamide (CID 99698305) is N-methyl-5-[(2R)-2-(3-methylphenyl)azepan-1-yl]-5-oxopentanamide.
What is the SMILES notation for N-methyl-5-[(2R)-2-(3-methylphenyl)azepan-1-yl]-5-oxopentanamide?
The canonical SMILES for N-methyl-5-[(2R)-2-(3-methylphenyl)azepan-1-yl]-5-oxopentanamide is CNC(=O)CCCC(=O)N1CCCCC[C@@H]1c1cccc(C)c1.
What is the InChIKey of N-methyl-5-[(2R)-2-(3-methylphenyl)azepan-1-yl]-5-oxopentanamide?
The InChIKey is IFFCLIQQBHYIOX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15-8-6-9-16(14-15)17-10-4-3-5-13-21(17)19(23)12-7-11-18(22)20-2/h6,8-9,14,17H,3-5,7,10-13H2,1-2H3,(H,20,22)/t17-/m1/s1.
What are the key properties of N-methyl-5-[(2R)-2-(3-methylphenyl)azepan-1-yl]-5-oxopentanamide?
N-methyl-5-[(2R)-2-(3-methylphenyl)azepan-1-yl]-5-oxopentanamide has a molecular weight of 316.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2R)-2-(3-methylphenyl)azepan-1-yl]-5-oxopentanamide is sourced from PubChem (CID 99698305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).