2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide

C16H23N3O2 — CID 94162151

IUPAC2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide
SMILESCN(CC(=O)N[C@@H]1CCCCNC1=O)Cc1ccccc1
InChIInChI=1S/C16H23N3O2/c1-19(11-13-7-3-2-4-8-13)12-15(20)18-14-9-5-6-10-17-16(14)21/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,17,21)(H,18,20)/t14-/m1/s1
InChIKeyPVPFDRBFWIDVLG-CQSZACIVSA-N
MW289.38 g/mol
LogP0.90
Rot. Bonds5

About 2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide

2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide (PubChem CID 94162151) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide
PubChem CID94162151
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide
SMILESCN(CC(=O)N[C@@H]1CCCCNC1=O)Cc1ccccc1
InChIInChI=1S/C16H23N3O2/c1-19(11-13-7-3-2-4-8-13)12-15(20)18-14-9-5-6-10-17-16(14)21/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,17,21)(H,18,20)/t14-/m1/s1
InChIKeyPVPFDRBFWIDVLG-CQSZACIVSA-N
XLogP0.90
TPSA61.44 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 ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]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-[methyl(thiophen-3-ylmethyl)amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 94083760
1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 47248762
2-[(2,4-difluorophenyl)methyl-methylamino]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 94084776
2-(N-benzylanilino)-N-(2-oxopiperidin-3-yl)acetamide
CID 75390361
N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 94081838
2-(N-methyl-2-phenoxyanilino)-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 96998148
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
2-[benzyl(methyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8901359
2-(2-methyl-N-methylsulfonylanilino)-N-(2-oxoazepan-3-yl)acetamide
CID 55683241
2-[methyl(methylsulfonyl)amino]-N-(2-oxoazepan-3-yl)acetamide
CID 51079705
2-[(4-fluorophenyl)methyl-prop-2-ynylamino]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 95164553

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide (CID 94162151) is 2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide is CN(CC(=O)N[C@@H]1CCCCNC1=O)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide?
The InChIKey is PVPFDRBFWIDVLG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19(11-13-7-3-2-4-8-13)12-15(20)18-14-9-5-6-10-17-16(14)21/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,17,21)(H,18,20)/t14-/m1/s1.
What are the key properties of 2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide?
2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide is sourced from PubChem (CID 94162151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).