1-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]cyclohexane-1-carboxylic acid

C19H27NO5 — CID 120539314

IUPAC1-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(OC)c(CCC(=O)N(C)C2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C19H27NO5/c1-20(19(18(22)23)11-5-4-6-12-19)17(21)10-7-14-13-15(24-2)8-9-16(14)25-3/h8-9,13H,4-7,10-12H2,1-3H3,(H,22,23)
InChIKeyACOWFBYLNLYHES-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.88
Rot. Bonds7

About 1-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]cyclohexane-1-carboxylic acid

1-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]cyclohexane-1-carboxylic acid (PubChem CID 120539314) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]cyclohexane-1-carboxylic acid
PubChem CID120539314
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name1-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(OC)c(CCC(=O)N(C)C2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C19H27NO5/c1-20(19(18(22)23)11-5-4-6-12-19)17(21)10-7-14-13-15(24-2)8-9-16(14)25-3/h8-9,13H,4-7,10-12H2,1-3H3,(H,22,23)
InChIKeyACOWFBYLNLYHES-UHFFFAOYSA-N
XLogP2.88
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]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-(2,5-dimethoxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120690006
1-[methyl-[3-(3,4,5-trimethoxyphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120539528
3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228673
4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide
CID 116845076
1-[methyl(3-thiophen-3-ylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 120539458
3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide
CID 95972002
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279781
1-(2,5-dimethoxyphenyl)-4,4-dimethylpentan-3-one
CID 64503606
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid
CID 94270324
2-[3-(2,5-dimethoxyphenyl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120545156
(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone
CID 79067768

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]cyclohexane-1-carboxylic acid (CID 120539314) is 1-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]cyclohexane-1-carboxylic acid is COc1ccc(OC)c(CCC(=O)N(C)C2(C(=O)O)CCCCC2)c1.
What is the InChIKey of 1-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is ACOWFBYLNLYHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-20(19(18(22)23)11-5-4-6-12-19)17(21)10-7-14-13-15(24-2)8-9-16(14)25-3/h8-9,13H,4-7,10-12H2,1-3H3,(H,22,23).
What are the key properties of 1-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]cyclohexane-1-carboxylic acid?
1-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 349.43 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120539314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).