1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid

C17H25NO3 — CID 60994309

IUPAC1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(Nc2ccccc2OC)(C(=O)O)CC1
InChIInChI=1S/C17H25NO3/c1-3-6-13-9-11-17(12-10-13,16(19)20)18-14-7-4-5-8-15(14)21-2/h4-5,7-8,13,18H,3,6,9-12H2,1-2H3,(H,19,20)
InChIKeyNJXHFUAKWCPKCF-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.92
Rot. Bonds6

About 1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid

1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid (PubChem CID 60994309) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid
PubChem CID60994309
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(Nc2ccccc2OC)(C(=O)O)CC1
InChIInChI=1S/C17H25NO3/c1-3-6-13-9-11-17(12-10-13,16(19)20)18-14-7-4-5-8-15(14)21-2/h4-5,7-8,13,18H,3,6,9-12H2,1-2H3,(H,19,20)
InChIKeyNJXHFUAKWCPKCF-UHFFFAOYSA-N
XLogP3.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide
CID 60996320
methyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate
CID 64513805
[(3R)-7-propylspiro[3.5]nonan-3-yl] N-(2-methoxyphenyl)carbamate
CID 156602687
1-(phenylmethoxycarbonylamino)-4-propylcyclohexane-1-carboxylic acid
CID 103663689
4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid
CID 60993612
methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate
CID 103439505
3-(2-methoxyanilino)-5-methylthiolane-3-carboxylic acid
CID 79950602
1-formamido-4-propylcyclohexane-1-carboxylic acid
CID 63687820
ethyl 3-(2-methoxyanilino)thiolane-3-carboxylate
CID 54890456
1-(2-methoxyanilino)cyclobutane-1-carboxamide
CID 60996883
methyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate
CID 54890268
1-(2-methoxyphenyl)-3-propylcyclobutane-1-carboxylic acid
CID 65013802

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid (CID 60994309) is 1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(Nc2ccccc2OC)(C(=O)O)CC1.
What is the InChIKey of 1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is NJXHFUAKWCPKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-6-13-9-11-17(12-10-13,16(19)20)18-14-7-4-5-8-15(14)21-2/h4-5,7-8,13,18H,3,6,9-12H2,1-2H3,(H,19,20).
What are the key properties of 1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid?
1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 60994309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).