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

C18H25NO5 — CID 120690006

IUPAC1-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(OC)c(CC(=O)N(C)C2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C18H25NO5/c1-19(18(17(21)22)9-5-4-6-10-18)16(20)12-13-11-14(23-2)7-8-15(13)24-3/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,21,22)
InChIKeyRZLJXNFRVOZEAQ-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.49
Rot. Bonds6

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

1-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid (PubChem CID 120690006) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid
PubChem CID120690006
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name1-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(OC)c(CC(=O)N(C)C2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C18H25NO5/c1-19(18(17(21)22)9-5-4-6-10-18)16(20)12-13-11-14(23-2)7-8-15(13)24-3/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,21,22)
InChIKeyRZLJXNFRVOZEAQ-UHFFFAOYSA-N
XLogP2.49
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(2,5-dimethoxyphenyl)acetyl]-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-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]cyclohexane-1-carboxylic acid
CID 120539314
1-[methyl-[3-(3,4,5-trimethoxyphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120539528
2-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]-2-methylpropanoic acid
CID 120686315
1-[[2-(4-hydroxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120540141
1-[[2-(3,4-difluorophenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539989
(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone
CID 79067768
N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)acetamide
CID 78860034
1-[(3-methoxy-4-propan-2-yloxybenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539762
2-(5-chloro-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone
CID 79067216
2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone
CID 79067763
N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(4-ethylcyclohexyl)acetamide
CID 78852926
N-[(2,5-dimethoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194742

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid (CID 120690006) is 1-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid is COc1ccc(OC)c(CC(=O)N(C)C2(C(=O)O)CCCCC2)c1.
What is the InChIKey of 1-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is RZLJXNFRVOZEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-19(18(17(21)22)9-5-4-6-10-18)16(20)12-13-11-14(23-2)7-8-15(13)24-3/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,21,22).
What are the key properties of 1-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid?
1-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,5-dimethoxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120690006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).