1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid

C17H23NO3 — CID 43132383

IUPAC1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(CCC(=O)NC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-13-5-7-14(8-6-13)9-10-15(19)18-17(16(20)21)11-3-2-4-12-17/h5-8H,2-4,9-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyFNWDMCCIELUQEE-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.83
Rot. Bonds5

About 1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid

1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 43132383) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
PubChem CID43132383
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(CCC(=O)NC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-13-5-7-14(8-6-13)9-10-15(19)18-17(16(20)21)11-3-2-4-12-17/h5-8H,2-4,9-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyFNWDMCCIELUQEE-UHFFFAOYSA-N
XLogP2.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(4-methylphenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 43341572
1-[3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanoylamino]cyclohexane-1-carboxylic acid
CID 119125103
N-[1-(bromomethyl)cyclohexyl]-3-(4-methylphenyl)propanamide
CID 114314101
1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81157933
1-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]cyclohexane-1-carboxylic acid
CID 120512710
1-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]cycloheptane-1-carboxylic acid
CID 120538700
1-[4-(4-methylphenoxy)butanoylamino]cyclobutane-1-carboxylic acid
CID 81164001
1-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]cyclopentane-1-carboxylic acid
CID 120515051
1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176767
1-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoylamino]cyclopentane-1-carboxylic acid
CID 119176805
1-[[2-[4-(dimethylamino)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 91834717
1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid
CID 13376659

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid (CID 43132383) is 1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid is Cc1ccc(CCC(=O)NC2(C(=O)O)CCCCC2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is FNWDMCCIELUQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13-5-7-14(8-6-13)9-10-15(19)18-17(16(20)21)11-3-2-4-12-17/h5-8H,2-4,9-12H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid?
1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43132383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).