3-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzamide

C17H26N2O — CID 79864777

IUPAC3-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC2CCCC2(C)C)c1
InChIInChI=1S/C17H26N2O/c1-4-11-18-16(20)13-7-5-8-14(12-13)19-15-9-6-10-17(15,2)3/h5,7-8,12,15,19H,4,6,9-11H2,1-3H3,(H,18,20)
InChIKeyCWNVFLNOEUSJCZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.82
Rot. Bonds5

About 3-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzamide

3-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzamide (PubChem CID 79864777) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzamide
PubChem CID79864777
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC2CCCC2(C)C)c1
InChIInChI=1S/C17H26N2O/c1-4-11-18-16(20)13-7-5-8-14(12-13)19-15-9-6-10-17(15,2)3/h5,7-8,12,15,19H,4,6,9-11H2,1-3H3,(H,18,20)
InChIKeyCWNVFLNOEUSJCZ-UHFFFAOYSA-N
XLogP3.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(2,2-dimethylcyclopentyl)amino]phenyl]acetamide
CID 79864740
[3-[(2,2-dimethylcyclopentyl)amino]phenyl]methanol
CID 79859836
3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide
CID 64752912
3-[(3-methoxycyclohexyl)amino]-N-propylbenzamide
CID 106871637
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide
CID 119283135
3-chloro-N-(2,2-dimethylcyclopentyl)aniline
CID 79865179
3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid
CID 79872488
1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea
CID 79832263
3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide
CID 79856078
3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide
CID 60867621
3-[(2-methylcyclohexyl)carbamoylamino]-N-propylbenzamide
CID 47034013

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzamide?
The IUPAC name of 3-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzamide (CID 79864777) is 3-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzamide.
What is the SMILES notation for 3-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzamide?
The canonical SMILES for 3-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC2CCCC2(C)C)c1.
What is the InChIKey of 3-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzamide?
The InChIKey is CWNVFLNOEUSJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-11-18-16(20)13-7-5-8-14(12-13)19-15-9-6-10-17(15,2)3/h5,7-8,12,15,19H,4,6,9-11H2,1-3H3,(H,18,20).
What are the key properties of 3-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzamide?
3-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzamide is sourced from PubChem (CID 79864777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).