3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide

C16H24N2O — CID 43706938

IUPAC3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide
SMILESCCC1CCCCC1NC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C16H24N2O/c1-3-12-6-4-5-7-15(12)18-16(19)13-9-8-11(2)14(17)10-13/h8-10,12,15H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyJFHXSPFZFOSCQX-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.28
Rot. Bonds3

About 3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide

3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide (PubChem CID 43706938) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide
PubChem CID43706938
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide
SMILESCCC1CCCCC1NC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C16H24N2O/c1-3-12-6-4-5-7-15(12)18-16(19)13-9-8-11(2)14(17)10-13/h8-10,12,15H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyJFHXSPFZFOSCQX-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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

3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide
CID 64923475
4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide
CID 62680797
N-(2-ethylcyclohexyl)-3-methyl-4-(methylamino)benzamide
CID 63213551
4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide
CID 47355548
3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358670
2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349674
2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 114325811
2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide
CID 79714631
4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 30117194
3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide
CID 113254997
N-[2-(aminomethyl)cyclohexyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 119610619
3-amino-N-(cyclohexylmethyl)-4-methylbenzamide
CID 43371353

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide?
The IUPAC name of 3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide (CID 43706938) is 3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide is CCC1CCCCC1NC(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide?
The InChIKey is JFHXSPFZFOSCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-12-6-4-5-7-15(12)18-16(19)13-9-8-11(2)14(17)10-13/h8-10,12,15H,3-7,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide?
3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide has a molecular weight of 260.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide is sourced from PubChem (CID 43706938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).