3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide

C15H22N2O — CID 114542653

IUPAC3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCC(C)(C)C2)cc1N
InChIInChI=1S/C15H22N2O/c1-10-4-5-11(8-13(10)16)14(18)17-12-6-7-15(2,3)9-12/h4-5,8,12H,6-7,9,16H2,1-3H3,(H,17,18)
InChIKeyPBWZGBZIRBGARB-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.89
Rot. Bonds2

About 3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide

3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide (PubChem CID 114542653) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide
PubChem CID114542653
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCC(C)(C)C2)cc1N
InChIInChI=1S/C15H22N2O/c1-10-4-5-11(8-13(10)16)14(18)17-12-6-7-15(2,3)9-12/h4-5,8,12H,6-7,9,16H2,1-3H3,(H,17,18)
InChIKeyPBWZGBZIRBGARB-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-dimethylcyclopentyl)-4-methyl-3-sulfamoylbenzamide
CID 115880894
N-(3,3-dimethylcyclopentyl)-3-methyl-4-(methylamino)benzamide
CID 114540797
4-chloro-N-(3,3-dimethylcyclopentyl)benzamide
CID 91506548
3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79353186
4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide
CID 114540712
N-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide
CID 115880589
3-amino-4-[(3,3-dimethylcyclopentyl)amino]benzoic acid
CID 114550836
3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662752
N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide
CID 115881808
N-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide
CID 115880826
3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103965109
4-[(carbamoylamino)methyl]-N-(3,3-dimethylcyclopentyl)benzamide
CID 115880620

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide?
The IUPAC name of 3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide (CID 114542653) is 3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide is Cc1ccc(C(=O)NC2CCC(C)(C)C2)cc1N.
What is the InChIKey of 3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide?
The InChIKey is PBWZGBZIRBGARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-4-5-11(8-13(10)16)14(18)17-12-6-7-15(2,3)9-12/h4-5,8,12H,6-7,9,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide?
3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide has a molecular weight of 246.35 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide is sourced from PubChem (CID 114542653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).