3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid

C16H21NO3 — CID 63043093

IUPAC3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCCc1ccc(C(=O)NC2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C16H21NO3/c1-2-11-6-8-12(9-7-11)15(18)17-14-5-3-4-13(10-14)16(19)20/h6-9,13-14H,2-5,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyLCOXGLHBXBJMRH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.62
Rot. Bonds4

About 3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid

3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63043093) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63043093
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCCc1ccc(C(=O)NC2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C16H21NO3/c1-2-11-6-8-12(9-7-11)15(18)17-14-5-3-4-13(10-14)16(19)20/h6-9,13-14H,2-5,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyLCOXGLHBXBJMRH-UHFFFAOYSA-N
XLogP2.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 114173152
cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677359
3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 63043266
N-[3-(dimethylamino)cyclopentyl]-4-ethylbenzamide
CID 75396929
4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide
CID 43317913
3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032521
3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043451
cis-(1R,3S)-3-[[4-(phenylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678421
cis-(1S,3R)-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676313
3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044376
3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044539
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid (CID 63043093) is 3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid is CCc1ccc(C(=O)NC2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is LCOXGLHBXBJMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-11-6-8-12(9-7-11)15(18)17-14-5-3-4-13(10-14)16(19)20/h6-9,13-14H,2-5,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid?
3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63043093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).