1-[2-(3-acetylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid

C18H23NO5 — CID 119113818

IUPAC1-[2-(3-acetylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCC(=O)c1cccc(OC(C)C(=O)NC2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C18H23NO5/c1-12(20)14-7-6-8-15(11-14)24-13(2)16(21)19-18(17(22)23)9-4-3-5-10-18/h6-8,11,13H,3-5,9-10H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyUUSHXEDCFIBQRF-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.56
Rot. Bonds6

About 1-[2-(3-acetylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid

1-[2-(3-acetylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 119113818) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is 1-[2-(3-acetylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-acetylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid
PubChem CID119113818
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name1-[2-(3-acetylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCC(=O)c1cccc(OC(C)C(=O)NC2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C18H23NO5/c1-12(20)14-7-6-8-15(11-14)24-13(2)16(21)19-18(17(22)23)9-4-3-5-10-18/h6-8,11,13H,3-5,9-10H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyUUSHXEDCFIBQRF-UHFFFAOYSA-N
XLogP2.56
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-acetylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81158051
1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81164171
1-[4-(3-acetylphenoxy)butanoylamino]cyclohexane-1-carboxylic acid
CID 119113838
2-[4-[2-(3-acetylphenoxy)propanoylamino]oxan-4-yl]acetic acid
CID 119215806
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
1-[(3-ethoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120539178
cis-(1R,3S)-3-[2-(3-acetylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678358
1-[[3-(2-methoxyethoxy)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 120538657
methyl 2-(3-acetylphenoxy)propanoate
CID 60643105
1-[2-(4-bromophenoxy)propanoylamino]cyclopropane-1-carboxylic acid
CID 65451169
1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid
CID 69315148
N-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide
CID 62520197

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-acetylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-(3-acetylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid (CID 119113818) is 1-[2-(3-acetylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(3-acetylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-(3-acetylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid is CC(=O)c1cccc(OC(C)C(=O)NC2(C(=O)O)CCCCC2)c1.
What is the InChIKey of 1-[2-(3-acetylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is UUSHXEDCFIBQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-12(20)14-7-6-8-15(11-14)24-13(2)16(21)19-18(17(22)23)9-4-3-5-10-18/h6-8,11,13H,3-5,9-10H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 1-[2-(3-acetylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid?
1-[2-(3-acetylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 333.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-acetylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119113818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).