3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide

C16H24N2O — CID 64923475

IUPAC3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide
SMILESCCC1CCC(NC(=O)c2ccc(C)c(N)c2)C1C
InChIInChI=1S/C16H24N2O/c1-4-12-7-8-15(11(12)3)18-16(19)13-6-5-10(2)14(17)9-13/h5-6,9,11-12,15H,4,7-8,17H2,1-3H3,(H,18,19)
InChIKeyIVTMMMOSDWUYGS-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.13
Rot. Bonds3

About 3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide

3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide (PubChem CID 64923475) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide
PubChem CID64923475
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide
SMILESCCC1CCC(NC(=O)c2ccc(C)c(N)c2)C1C
InChIInChI=1S/C16H24N2O/c1-4-12-7-8-15(11(12)3)18-16(19)13-6-5-10(2)14(17)9-13/h5-6,9,11-12,15H,4,7-8,17H2,1-3H3,(H,18,19)
InChIKeyIVTMMMOSDWUYGS-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.13
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-ethyl-2-methylcyclopentyl)-4-hydroxy-3-methylbenzamide
CID 107676725
3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide
CID 43706938
N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999041
2-amino-N-(3-ethyl-2-methylcyclopentyl)-6-methylbenzamide
CID 64923476
N-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104615105
2,4-diamino-N-(3-ethyl-2-methylcyclopentyl)benzamide
CID 64921700
3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide
CID 64923164
2-amino-N-(3-ethyl-2-methylcyclopentyl)-3-methylbenzamide
CID 64923284
3-(3-aminoprop-1-ynyl)-N-(3-ethyl-2-methylcyclopentyl)benzamide
CID 64915053
N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinyl-5-methylbenzamide
CID 64914858
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylbenzamide
CID 16793700
3-amino-N-(2-ethylcyclopropyl)-4-fluorobenzamide
CID 103811291

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide?
The IUPAC name of 3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide (CID 64923475) is 3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide is CCC1CCC(NC(=O)c2ccc(C)c(N)c2)C1C.
What is the InChIKey of 3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide?
The InChIKey is IVTMMMOSDWUYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-12-7-8-15(11(12)3)18-16(19)13-6-5-10(2)14(17)9-13/h5-6,9,11-12,15H,4,7-8,17H2,1-3H3,(H,18,19).
What are the key properties of 3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide?
3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide has a molecular weight of 260.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide is sourced from PubChem (CID 64923475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).