N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide

C16H23NO — CID 533210

IUPACN-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
SMILESCCN(C(=O)C1CCCCC1)c1cccc(C)c1
InChIInChI=1S/C16H23NO/c1-3-17(15-11-7-8-13(2)12-15)16(18)14-9-5-4-6-10-14/h7-8,11-12,14H,3-6,9-10H2,1-2H3
InChIKeyNARFYVMKRROFNU-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.93
Rot. Bonds3

About N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide

N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide (PubChem CID 533210) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
PubChem CID533210
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
SMILESCCN(C(=O)C1CCCCC1)c1cccc(C)c1
InChIInChI=1S/C16H23NO/c1-3-17(15-11-7-8-13(2)12-15)16(18)14-9-5-4-6-10-14/h7-8,11-12,14H,3-6,9-10H2,1-2H3
InChIKeyNARFYVMKRROFNU-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782796
N-ethyl-N-(3-methylphenyl)thiane-3-carboxamide
CID 110865038
3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705842
4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144641
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide
CID 28766909
4-N-ethyl-4-N-(3-methylphenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150509
1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17224500
1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145572
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
N-cyclohexyl-N'-ethyl-N-methyl-N'-(3-methylphenyl)oxamide
CID 108503849
N-ethyl-3-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 102778923

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide (CID 533210) is N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide is CCN(C(=O)C1CCCCC1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide?
The InChIKey is NARFYVMKRROFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-17(15-11-7-8-13(2)12-15)16(18)14-9-5-4-6-10-14/h7-8,11-12,14H,3-6,9-10H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide?
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide has a molecular weight of 245.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 533210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).