4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid

C15H19NO5 — CID 60810345

IUPAC4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C(=O)NC2CCC(C(=O)O)CC2)c(O)c1
InChIInChI=1S/C15H19NO5/c1-21-11-6-7-12(13(17)8-11)14(18)16-10-4-2-9(3-5-10)15(19)20/h6-10,17H,2-5H2,1H3,(H,16,18)(H,19,20)
InChIKeyASVJBINNTDSXIU-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.77
Rot. Bonds4

About 4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid

4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 60810345) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID60810345
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C(=O)NC2CCC(C(=O)O)CC2)c(O)c1
InChIInChI=1S/C15H19NO5/c1-21-11-6-7-12(13(17)8-11)14(18)16-10-4-2-9(3-5-10)15(19)20/h6-10,17H,2-5H2,1H3,(H,16,18)(H,19,20)
InChIKeyASVJBINNTDSXIU-UHFFFAOYSA-N
XLogP1.77
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119228986
3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043634
4-[(2-bromo-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808715
2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide
CID 43610298
2-hydroxy-4-methoxy-N-(3-methylcyclobutyl)benzamide
CID 115671067
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
N-(3,3-dimethylcyclopentyl)-2-hydroxy-4-methoxybenzamide
CID 115881718
2-hydroxy-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47375174
N-(2-aminocyclopropyl)-2-hydroxy-4-methoxybenzamide
CID 43593875
2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide
CID 115412622
2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide
CID 104956910
2-hydroxy-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79351166

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid (CID 60810345) is 4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid is COc1ccc(C(=O)NC2CCC(C(=O)O)CC2)c(O)c1.
What is the InChIKey of 4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ASVJBINNTDSXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-21-11-6-7-12(13(17)8-11)14(18)16-10-4-2-9(3-5-10)15(19)20/h6-10,17H,2-5H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60810345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).