4-[3-(2,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid

C18H25NO5 — CID 119230134

IUPAC4-[3-(2,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(OC)c(CCC(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C18H25NO5/c1-23-15-8-9-16(24-2)13(11-15)5-10-17(20)19-14-6-3-12(4-7-14)18(21)22/h8-9,11-12,14H,3-7,10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyLXDSPIJZCQZTNQ-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.40
Rot. Bonds7

About 4-[3-(2,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid

4-[3-(2,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 119230134) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-[3-(2,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
PubChem CID119230134
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name4-[3-(2,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(OC)c(CCC(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C18H25NO5/c1-23-15-8-9-16(24-2)13(11-15)5-10-17(20)19-14-6-3-12(4-7-14)18(21)22/h8-9,11-12,14H,3-7,10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyLXDSPIJZCQZTNQ-UHFFFAOYSA-N
XLogP2.40
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229032
4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60809174
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)methylamino]acetamide
CID 43401917
4-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229751
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
N-(4-aminocyclohexyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 119476462
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
3-(2,5-dimethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 46539288
2-[3-(2,5-dimethoxyphenyl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120545156
4-[3-(2,4-difluorophenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 162632420
cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675040
N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide
CID 114297242

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[3-(2,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid (CID 119230134) is 4-[3-(2,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[3-(2,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[3-(2,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid is COc1ccc(OC)c(CCC(=O)NC2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[3-(2,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is LXDSPIJZCQZTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-23-15-8-9-16(24-2)13(11-15)5-10-17(20)19-14-6-3-12(4-7-14)18(21)22/h8-9,11-12,14H,3-7,10H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-[3-(2,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid?
4-[3-(2,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119230134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).