3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid

C16H21NO3 — CID 103550633

IUPAC3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCN(C(=O)C1CCC(C(=O)O)C1)c1ccc(C)cc1
InChIInChI=1S/C16H21NO3/c1-3-17(14-8-4-11(2)5-9-14)15(18)12-6-7-13(10-12)16(19)20/h4-5,8-9,12-13H,3,6-7,10H2,1-2H3,(H,19,20)
InChIKeyIEBRCLXPPAORKD-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.85
Rot. Bonds4

About 3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid

3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550633) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550633
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCN(C(=O)C1CCC(C(=O)O)C1)c1ccc(C)cc1
InChIInChI=1S/C16H21NO3/c1-3-17(14-8-4-11(2)5-9-14)15(18)12-6-7-13(10-12)16(19)20/h4-5,8-9,12-13H,3,6-7,10H2,1-2H3,(H,19,20)
InChIKeyIEBRCLXPPAORKD-UHFFFAOYSA-N
XLogP2.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 63046107
3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782796
4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784653
N-ethyl-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119280403
N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119706995
3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550638
N-ethyl-N-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 76876121
N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide
CID 106738635
2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid
CID 106739630
(2S,4S)-N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 120616057
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
(2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 103794860

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103550633) is 3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid is CCN(C(=O)C1CCC(C(=O)O)C1)c1ccc(C)cc1.
What is the InChIKey of 3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is IEBRCLXPPAORKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-17(14-8-4-11(2)5-9-14)15(18)12-6-7-13(10-12)16(19)20/h4-5,8-9,12-13H,3,6-7,10H2,1-2H3,(H,19,20).
What are the key properties of 3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).