2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C16H21NO4 — CID 2932758

IUPAC2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C)cc1NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C16H21NO4/c1-10-7-8-14(21-2)13(9-10)17-15(18)11-5-3-4-6-12(11)16(19)20/h7-9,11-12H,3-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyQMAXCKLCCMYNSM-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.83
Rot. Bonds4

About 2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 2932758) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID2932758
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C)cc1NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C16H21NO4/c1-10-7-8-14(21-2)13(9-10)17-15(18)11-5-3-4-6-12(11)16(19)20/h7-9,11-12H,3-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyQMAXCKLCCMYNSM-UHFFFAOYSA-N
XLogP2.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 2932758) is 2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is COc1ccc(C)cc1NC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is QMAXCKLCCMYNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10-7-8-14(21-2)13(9-10)17-15(18)11-5-3-4-6-12(11)16(19)20/h7-9,11-12H,3-6H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2932758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).