N'-benzyl-N-cyclopentyl-N'-methylpropanediamide

C16H22N2O2 — CID 108942140

IUPACN'-benzyl-N-cyclopentyl-N'-methylpropanediamide
SMILESCN(Cc1ccccc1)C(=O)CC(=O)NC1CCCC1
InChIInChI=1S/C16H22N2O2/c1-18(12-13-7-3-2-4-8-13)16(20)11-15(19)17-14-9-5-6-10-14/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,17,19)
InChIKeyKOLDBWZYHREDML-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.09
Rot. Bonds5

About N'-benzyl-N-cyclopentyl-N'-methylpropanediamide

N'-benzyl-N-cyclopentyl-N'-methylpropanediamide (PubChem CID 108942140) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N'-benzyl-N-cyclopentyl-N'-methylpropanediamide.

Molecular Properties

Compound NameN'-benzyl-N-cyclopentyl-N'-methylpropanediamide
PubChem CID108942140
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN'-benzyl-N-cyclopentyl-N'-methylpropanediamide
SMILESCN(Cc1ccccc1)C(=O)CC(=O)NC1CCCC1
InChIInChI=1S/C16H22N2O2/c1-18(12-13-7-3-2-4-8-13)16(20)11-15(19)17-14-9-5-6-10-14/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,17,19)
InChIKeyKOLDBWZYHREDML-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N'-benzyl-N-cyclopentyl-N'-methylpropanediamide 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'-benzyl-N-cyclododecyl-N'-methyloxamide
CID 108517350
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
1-benzyl-3-cyclopentyl-1-methylthiourea
CID 116507158
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]-N-cyclohexylpropanamide;hydroiodide
CID 110951957
N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943617
N-benzyl-2-[(2R,3R,4S,5R)-5-[(cyclohexylcarbamoylamino)methyl]-3,4-dihydroxyoxolan-2-yl]-N-methylacetamide
CID 162808479
N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948907
N',N'-dibenzyl-N-cyclopentyloxamide
CID 108505966
N-benzyl-N'-cyclohexylpropanediamide
CID 108942512
N-cyclopropyl-2-phenylacetamide
CID 5175687

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-cyclopentyl-N'-methylpropanediamide?
The IUPAC name of N'-benzyl-N-cyclopentyl-N'-methylpropanediamide (CID 108942140) is N'-benzyl-N-cyclopentyl-N'-methylpropanediamide.
What is the SMILES notation for N'-benzyl-N-cyclopentyl-N'-methylpropanediamide?
The canonical SMILES for N'-benzyl-N-cyclopentyl-N'-methylpropanediamide is CN(Cc1ccccc1)C(=O)CC(=O)NC1CCCC1.
What is the InChIKey of N'-benzyl-N-cyclopentyl-N'-methylpropanediamide?
The InChIKey is KOLDBWZYHREDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-18(12-13-7-3-2-4-8-13)16(20)11-15(19)17-14-9-5-6-10-14/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,17,19).
What are the key properties of N'-benzyl-N-cyclopentyl-N'-methylpropanediamide?
N'-benzyl-N-cyclopentyl-N'-methylpropanediamide has a molecular weight of 274.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-cyclopentyl-N'-methylpropanediamide is sourced from PubChem (CID 108942140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).