3-amino-2-cyclohexyl-4-methylbenzamide

C14H20N2O — CID 19091643

IUPAC3-amino-2-cyclohexyl-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(C2CCCCC2)c1N
InChIInChI=1S/C14H20N2O/c1-9-7-8-11(14(16)17)12(13(9)15)10-5-3-2-4-6-10/h7-8,10H,2-6,15H2,1H3,(H2,16,17)
InChIKeyLMPTYDMHCXWFPZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.72
Rot. Bonds2

About 3-amino-2-cyclohexyl-4-methylbenzamide

3-amino-2-cyclohexyl-4-methylbenzamide (PubChem CID 19091643) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-amino-2-cyclohexyl-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-2-cyclohexyl-4-methylbenzamide
PubChem CID19091643
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-amino-2-cyclohexyl-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(C2CCCCC2)c1N
InChIInChI=1S/C14H20N2O/c1-9-7-8-11(14(16)17)12(13(9)15)10-5-3-2-4-6-10/h7-8,10H,2-6,15H2,1H3,(H2,16,17)
InChIKeyLMPTYDMHCXWFPZ-UHFFFAOYSA-N
XLogP2.72
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.72
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 3-amino-2-cyclohexyl-4-methylbenzamide?
The IUPAC name of 3-amino-2-cyclohexyl-4-methylbenzamide (CID 19091643) is 3-amino-2-cyclohexyl-4-methylbenzamide.
What is the SMILES notation for 3-amino-2-cyclohexyl-4-methylbenzamide?
The canonical SMILES for 3-amino-2-cyclohexyl-4-methylbenzamide is Cc1ccc(C(N)=O)c(C2CCCCC2)c1N.
What is the InChIKey of 3-amino-2-cyclohexyl-4-methylbenzamide?
The InChIKey is LMPTYDMHCXWFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9-7-8-11(14(16)17)12(13(9)15)10-5-3-2-4-6-10/h7-8,10H,2-6,15H2,1H3,(H2,16,17).
What are the key properties of 3-amino-2-cyclohexyl-4-methylbenzamide?
3-amino-2-cyclohexyl-4-methylbenzamide has a molecular weight of 232.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclohexyl-4-methylbenzamide is sourced from PubChem (CID 19091643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).