2-amino-N-(2,3-dimethylcyclopentyl)-6-methylbenzamide

C15H22N2O — CID 64909917

IUPAC2-amino-N-(2,3-dimethylcyclopentyl)-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)NC1CCC(C)C1C
InChIInChI=1S/C15H22N2O/c1-9-7-8-13(11(9)3)17-15(18)14-10(2)5-4-6-12(14)16/h4-6,9,11,13H,7-8,16H2,1-3H3,(H,17,18)
InChIKeyHEJYLINJGGCOPJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.74
Rot. Bonds2

About 2-amino-N-(2,3-dimethylcyclopentyl)-6-methylbenzamide

2-amino-N-(2,3-dimethylcyclopentyl)-6-methylbenzamide (PubChem CID 64909917) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-amino-N-(2,3-dimethylcyclopentyl)-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dimethylcyclopentyl)-6-methylbenzamide
PubChem CID64909917
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-amino-N-(2,3-dimethylcyclopentyl)-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)NC1CCC(C)C1C
InChIInChI=1S/C15H22N2O/c1-9-7-8-13(11(9)3)17-15(18)14-10(2)5-4-6-12(14)16/h4-6,9,11,13H,7-8,16H2,1-3H3,(H,17,18)
InChIKeyHEJYLINJGGCOPJ-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dimethylcyclopentyl)-6-methylbenzamide?
The IUPAC name of 2-amino-N-(2,3-dimethylcyclopentyl)-6-methylbenzamide (CID 64909917) is 2-amino-N-(2,3-dimethylcyclopentyl)-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2,3-dimethylcyclopentyl)-6-methylbenzamide?
The canonical SMILES for 2-amino-N-(2,3-dimethylcyclopentyl)-6-methylbenzamide is Cc1cccc(N)c1C(=O)NC1CCC(C)C1C.
What is the InChIKey of 2-amino-N-(2,3-dimethylcyclopentyl)-6-methylbenzamide?
The InChIKey is HEJYLINJGGCOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-9-7-8-13(11(9)3)17-15(18)14-10(2)5-4-6-12(14)16/h4-6,9,11,13H,7-8,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-(2,3-dimethylcyclopentyl)-6-methylbenzamide?
2-amino-N-(2,3-dimethylcyclopentyl)-6-methylbenzamide has a molecular weight of 246.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dimethylcyclopentyl)-6-methylbenzamide is sourced from PubChem (CID 64909917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).