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

C17H23NO4 — CID 119229032

IUPAC4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(CCC(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C17H23NO4/c1-22-15-4-2-3-12(11-15)5-10-16(19)18-14-8-6-13(7-9-14)17(20)21/h2-4,11,13-14H,5-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyDYVLVMKKHLBABK-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.39
Rot. Bonds6

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

4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 119229032) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
PubChem CID119229032
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(CCC(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C17H23NO4/c1-22-15-4-2-3-12(11-15)5-10-16(19)18-14-8-6-13(7-9-14)17(20)21/h2-4,11,13-14H,5-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyDYVLVMKKHLBABK-UHFFFAOYSA-N
XLogP2.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229659
3-(3-methoxyphenyl)-N-piperidin-4-ylpropanamide
CID 119389634
methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 110821761
N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162
(1S,3R,4R)-N-cyclopropyl-4-methoxy-3-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxamide
CID 155501156
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809214
4-[3-(2,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119230134
4-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229751
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(3-methoxyphenyl)propanamide
CID 110819891
2-(3-methoxyphenyl)-N-[4-(methylamino)cyclohexyl]acetamide
CID 43653164
4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229628
3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120601809

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid (CID 119229032) is 4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid is COc1cccc(CCC(=O)NC2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is DYVLVMKKHLBABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-22-15-4-2-3-12(11-15)5-10-16(19)18-14-8-6-13(7-9-14)17(20)21/h2-4,11,13-14H,5-10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid?
4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).