1-(4-ethylanilino)cyclohexane-1-carboxylic acid

C15H21NO2 — CID 71564845

IUPAC1-(4-ethylanilino)cyclohexane-1-carboxylic acid
SMILESCCc1ccc(NC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C15H21NO2/c1-2-12-6-8-13(9-7-12)16-15(14(17)18)10-4-3-5-11-15/h6-9,16H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyNDEUFDFRGGEWCR-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.45
Rot. Bonds4

About 1-(4-ethylanilino)cyclohexane-1-carboxylic acid

1-(4-ethylanilino)cyclohexane-1-carboxylic acid (PubChem CID 71564845) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(4-ethylanilino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethylanilino)cyclohexane-1-carboxylic acid
PubChem CID71564845
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(4-ethylanilino)cyclohexane-1-carboxylic acid
SMILESCCc1ccc(NC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C15H21NO2/c1-2-12-6-8-13(9-7-12)16-15(14(17)18)10-4-3-5-11-15/h6-9,16H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyNDEUFDFRGGEWCR-UHFFFAOYSA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341634
1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176767
1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid
CID 61290842
1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 62738855
1-(4-chloroanilino)-4-ethylcycloheptane-1-carboxylic acid
CID 65085660
1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224
1-(3-fluoro-4-methylanilino)cyclopentane-1-carboxylic acid
CID 114990350
3-(4-methylanilino)-1,1-dioxothiolane-3-carboxylic acid
CID 63166074
1-(4-fluoroanilino)cyclopropane-1-carboxylic acid
CID 103439482
1-(4-cyano-3-methylanilino)cycloheptane-1-carboxylic acid
CID 81274418
3-(4-methylanilino)thiolane-3-carboxylic acid
CID 60992287
4-ethyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid
CID 60992420

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylanilino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(4-ethylanilino)cyclohexane-1-carboxylic acid (CID 71564845) is 1-(4-ethylanilino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(4-ethylanilino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(4-ethylanilino)cyclohexane-1-carboxylic acid is CCc1ccc(NC2(C(=O)O)CCCCC2)cc1.
What is the InChIKey of 1-(4-ethylanilino)cyclohexane-1-carboxylic acid?
The InChIKey is NDEUFDFRGGEWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-12-6-8-13(9-7-12)16-15(14(17)18)10-4-3-5-11-15/h6-9,16H,2-5,10-11H2,1H3,(H,17,18).
What are the key properties of 1-(4-ethylanilino)cyclohexane-1-carboxylic acid?
1-(4-ethylanilino)cyclohexane-1-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylanilino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 71564845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).