N-(3,4-dimethylphenyl)cyclohexanecarboxamide

C15H21NO — CID 854997

IUPACN-(3,4-dimethylphenyl)cyclohexanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCCC2)cc1C
InChIInChI=1S/C15H21NO/c1-11-8-9-14(10-12(11)2)16-15(17)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,16,17)
InChIKeyCZDBRXUTEBJMCJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.82
Rot. Bonds2

About N-(3,4-dimethylphenyl)cyclohexanecarboxamide

N-(3,4-dimethylphenyl)cyclohexanecarboxamide (PubChem CID 854997) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)cyclohexanecarboxamide
PubChem CID854997
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(3,4-dimethylphenyl)cyclohexanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCCC2)cc1C
InChIInChI=1S/C15H21NO/c1-11-8-9-14(10-12(11)2)16-15(17)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,16,17)
InChIKeyCZDBRXUTEBJMCJ-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)cyclohexanecarboxamide (CID 854997) is N-(3,4-dimethylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)cyclohexanecarboxamide is Cc1ccc(NC(=O)C2CCCCC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)cyclohexanecarboxamide?
The InChIKey is CZDBRXUTEBJMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-8-9-14(10-12(11)2)16-15(17)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,16,17).
What are the key properties of N-(3,4-dimethylphenyl)cyclohexanecarboxamide?
N-(3,4-dimethylphenyl)cyclohexanecarboxamide has a molecular weight of 231.34 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 854997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).