3-[(2,2-dimethylcyclopentyl)amino]-2-methylbenzamide

C15H22N2O — CID 79860471

IUPAC3-[(2,2-dimethylcyclopentyl)amino]-2-methylbenzamide
SMILESCc1c(NC2CCCC2(C)C)cccc1C(N)=O
InChIInChI=1S/C15H22N2O/c1-10-11(14(16)18)6-4-7-12(10)17-13-8-5-9-15(13,2)3/h4,6-7,13,17H,5,8-9H2,1-3H3,(H2,16,18)
InChIKeyZCSMJGPSRUYVIF-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.08
Rot. Bonds3

About 3-[(2,2-dimethylcyclopentyl)amino]-2-methylbenzamide

3-[(2,2-dimethylcyclopentyl)amino]-2-methylbenzamide (PubChem CID 79860471) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclopentyl)amino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclopentyl)amino]-2-methylbenzamide
PubChem CID79860471
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[(2,2-dimethylcyclopentyl)amino]-2-methylbenzamide
SMILESCc1c(NC2CCCC2(C)C)cccc1C(N)=O
InChIInChI=1S/C15H22N2O/c1-10-11(14(16)18)6-4-7-12(10)17-13-8-5-9-15(13,2)3/h4,6-7,13,17H,5,8-9H2,1-3H3,(H2,16,18)
InChIKeyZCSMJGPSRUYVIF-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(2,2-dimethylcyclopentyl)amino]benzoate
CID 79864939
2-[(2,2-dimethylcyclopentyl)amino]-N,N-dimethylbenzamide
CID 79860587
N-(2,2-dimethylcyclopentyl)-2-methyl-3-nitroaniline
CID 79859590
3-[(2,2-dimethylcyclohexyl)amino]-2-methylbenzenesulfonamide
CID 79836934
2-methyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide
CID 115400523
3-[(4-aminocyclohexyl)amino]-2-methylbenzamide
CID 79723896
2-methyl-3-[(4-methylcyclohexyl)amino]benzamide
CID 43694058
3-[(3-aminocyclobutyl)amino]-2-methylbenzamide
CID 80560029
3-[(2-methoxycyclohexyl)amino]-2-methylbenzamide
CID 43783378
3-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-methylbenzamide
CID 43694209
N-(2,2-dimethylcyclohexyl)-2-fluoro-3-methylaniline
CID 114254485
2-methyl-3-(propan-2-ylamino)benzamide
CID 43694179

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclopentyl)amino]-2-methylbenzamide?
The IUPAC name of 3-[(2,2-dimethylcyclopentyl)amino]-2-methylbenzamide (CID 79860471) is 3-[(2,2-dimethylcyclopentyl)amino]-2-methylbenzamide.
What is the SMILES notation for 3-[(2,2-dimethylcyclopentyl)amino]-2-methylbenzamide?
The canonical SMILES for 3-[(2,2-dimethylcyclopentyl)amino]-2-methylbenzamide is Cc1c(NC2CCCC2(C)C)cccc1C(N)=O.
What is the InChIKey of 3-[(2,2-dimethylcyclopentyl)amino]-2-methylbenzamide?
The InChIKey is ZCSMJGPSRUYVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-11(14(16)18)6-4-7-12(10)17-13-8-5-9-15(13,2)3/h4,6-7,13,17H,5,8-9H2,1-3H3,(H2,16,18).
What are the key properties of 3-[(2,2-dimethylcyclopentyl)amino]-2-methylbenzamide?
3-[(2,2-dimethylcyclopentyl)amino]-2-methylbenzamide has a molecular weight of 246.35 g/mol, XLogP of 3.08, 3 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]-2-methylbenzamide is sourced from PubChem (CID 79860471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).