3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C17H23NO3 — CID 63782796

IUPAC3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCN(C(=O)C1CCCC(C(=O)O)C1)c1cccc(C)c1
InChIInChI=1S/C17H23NO3/c1-3-18(15-9-4-6-12(2)10-15)16(19)13-7-5-8-14(11-13)17(20)21/h4,6,9-10,13-14H,3,5,7-8,11H2,1-2H3,(H,20,21)
InChIKeySTIPNUGQNAZBHW-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.24
Rot. Bonds4

About 3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63782796) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63782796
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCN(C(=O)C1CCCC(C(=O)O)C1)c1cccc(C)c1
InChIInChI=1S/C17H23NO3/c1-3-18(15-9-4-6-12(2)10-15)16(19)13-7-5-8-14(11-13)17(20)21/h4,6,9-10,13-14H,3,5,7-8,11H2,1-2H3,(H,20,21)
InChIKeySTIPNUGQNAZBHW-UHFFFAOYSA-N
XLogP3.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705842
N-ethyl-N-(3-methylphenyl)thiane-3-carboxamide
CID 110865038
3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550633
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
N-ethyl-3-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 102778923
4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144641
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
4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784653
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63782796) is 3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is CCN(C(=O)C1CCCC(C(=O)O)C1)c1cccc(C)c1.
What is the InChIKey of 3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is STIPNUGQNAZBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-18(15-9-4-6-12(2)10-15)16(19)13-7-5-8-14(11-13)17(20)21/h4,6,9-10,13-14H,3,5,7-8,11H2,1-2H3,(H,20,21).
What are the key properties of 3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 289.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63782796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).