5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide

C16H24N2O — CID 102704816

IUPAC5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide
SMILESCc1cc(C)c(C(=O)NC2CCC(C)CC2)cc1N
InChIInChI=1S/C16H24N2O/c1-10-4-6-13(7-5-10)18-16(19)14-9-15(17)12(3)8-11(14)2/h8-10,13H,4-7,17H2,1-3H3,(H,18,19)
InChIKeyNMMVAXSHXKHFLN-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.19
Rot. Bonds2

About 5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide

5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide (PubChem CID 102704816) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide
PubChem CID102704816
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide
SMILESCc1cc(C)c(C(=O)NC2CCC(C)CC2)cc1N
InChIInChI=1S/C16H24N2O/c1-10-4-6-13(7-5-10)18-16(19)14-9-15(17)12(3)8-11(14)2/h8-10,13H,4-7,17H2,1-3H3,(H,18,19)
InChIKeyNMMVAXSHXKHFLN-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.19
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

5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide
CID 102704817
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide
CID 102705738
5-amino-N-(1,1-dioxothiolan-3-yl)-2,4-dimethylbenzamide
CID 102704893
5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide
CID 102705323
5-amino-N-(2-hydroxycyclohexyl)-2,4-dimethylbenzamide
CID 102705498
5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide
CID 16796108
5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide
CID 102706008
5-bromo-2-methyl-N-(3-methylcyclopentyl)benzamide
CID 114546768
5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide
CID 43510704
3,5-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 26877405
2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 141105148
5-amino-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 28690128

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of 5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide (CID 102704816) is 5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide is Cc1cc(C)c(C(=O)NC2CCC(C)CC2)cc1N.
What is the InChIKey of 5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide?
The InChIKey is NMMVAXSHXKHFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-10-4-6-13(7-5-10)18-16(19)14-9-15(17)12(3)8-11(14)2/h8-10,13H,4-7,17H2,1-3H3,(H,18,19).
What are the key properties of 5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide?
5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide has a molecular weight of 260.38 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 102704816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).