4-(3-cyclopentyloxyanilino)cyclohexane-1-carboxylic acid

C18H25NO3 — CID 122029500

IUPAC4-(3-cyclopentyloxyanilino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2cccc(OC3CCCC3)c2)CC1
InChIInChI=1S/C18H25NO3/c20-18(21)13-8-10-14(11-9-13)19-15-4-3-7-17(12-15)22-16-5-1-2-6-16/h3-4,7,12-14,16,19H,1-2,5-6,8-11H2,(H,20,21)
InChIKeyXSRKIEKYVOSNSQ-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.06
Rot. Bonds5

About 4-(3-cyclopentyloxyanilino)cyclohexane-1-carboxylic acid

4-(3-cyclopentyloxyanilino)cyclohexane-1-carboxylic acid (PubChem CID 122029500) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 4-(3-cyclopentyloxyanilino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-cyclopentyloxyanilino)cyclohexane-1-carboxylic acid
PubChem CID122029500
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name4-(3-cyclopentyloxyanilino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2cccc(OC3CCCC3)c2)CC1
InChIInChI=1S/C18H25NO3/c20-18(21)13-8-10-14(11-9-13)19-15-4-3-7-17(12-15)22-16-5-1-2-6-16/h3-4,7,12-14,16,19H,1-2,5-6,8-11H2,(H,20,21)
InChIKeyXSRKIEKYVOSNSQ-UHFFFAOYSA-N
XLogP4.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229659
4-[3-(2-oxoazetidin-1-yl)anilino]cyclohexane-1-carboxylic acid
CID 122033690
4-[3-(2,2,2-trifluoroethyl)anilino]cyclohexane-1-carboxylic acid
CID 122029899
(3-cyclopentyloxyphenyl)hydrazine
CID 55281400
4-[3-(1-methoxyethyl)anilino]cyclohexane-1-carboxylic acid
CID 122029796
N-cyclopentyl-3-phenoxyaniline
CID 55191413
2-amino-N-(3-cyclopentyloxyphenyl)propanamide
CID 82044663
4-[(2-cyclopentyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509881
4-(3-ethylsulfanylanilino)cyclohexane-1-carboxylic acid
CID 122029853
N-(3-cyclopentyloxyphenyl)-2-phenoxypropanamide
CID 46579795
3-cyclopentyloxybenzamide
CID 71932153
3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 83842692

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentyloxyanilino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(3-cyclopentyloxyanilino)cyclohexane-1-carboxylic acid (CID 122029500) is 4-(3-cyclopentyloxyanilino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(3-cyclopentyloxyanilino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(3-cyclopentyloxyanilino)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Nc2cccc(OC3CCCC3)c2)CC1.
What is the InChIKey of 4-(3-cyclopentyloxyanilino)cyclohexane-1-carboxylic acid?
The InChIKey is XSRKIEKYVOSNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c20-18(21)13-8-10-14(11-9-13)19-15-4-3-7-17(12-15)22-16-5-1-2-6-16/h3-4,7,12-14,16,19H,1-2,5-6,8-11H2,(H,20,21).
What are the key properties of 4-(3-cyclopentyloxyanilino)cyclohexane-1-carboxylic acid?
4-(3-cyclopentyloxyanilino)cyclohexane-1-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentyloxyanilino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122029500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).