2-[(4-methoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C16H19NO5 — CID 2839131

IUPAC2-[(4-methoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOC(=O)c1ccc(NC(=O)C2CCCCC2C(=O)O)cc1
InChIInChI=1S/C16H19NO5/c1-22-16(21)10-6-8-11(9-7-10)17-14(18)12-4-2-3-5-13(12)15(19)20/h6-9,12-13H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyTZABEFQPIFZSDQ-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.30
Rot. Bonds4

About 2-[(4-methoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(4-methoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 2839131) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[(4-methoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID2839131
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name2-[(4-methoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOC(=O)c1ccc(NC(=O)C2CCCCC2C(=O)O)cc1
InChIInChI=1S/C16H19NO5/c1-22-16(21)10-6-8-11(9-7-10)17-14(18)12-4-2-3-5-13(12)15(19)20/h6-9,12-13H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyTZABEFQPIFZSDQ-UHFFFAOYSA-N
XLogP2.30
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Methyl 4-[(3-methylbenzoyl)amino]benzoate
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2-(((2,3-Dimethylphenyl)amino)carbonyl)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(4-methoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 2839131) is 2-[(4-methoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-methoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(4-methoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is COC(=O)c1ccc(NC(=O)C2CCCCC2C(=O)O)cc1.
What is the InChIKey of 2-[(4-methoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is TZABEFQPIFZSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-22-16(21)10-6-8-11(9-7-10)17-14(18)12-4-2-3-5-13(12)15(19)20/h6-9,12-13H,2-5H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-methoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(4-methoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2839131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).