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

C15H18N2O6 — CID 2884820

IUPAC2-[(2-methoxy-5-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C15H18N2O6/c1-23-13-7-6-9(17(21)22)8-12(13)16-14(18)10-4-2-3-5-11(10)15(19)20/h6-8,10-11H,2-5H2,1H3,(H,16,18)(H,19,20)
InChIKeyOVDFQGROIAILDM-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.43
Rot. Bonds5

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

2-[(2-methoxy-5-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 2884820) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-[(2-methoxy-5-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxy-5-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID2884820
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name2-[(2-methoxy-5-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C15H18N2O6/c1-23-13-7-6-9(17(21)22)8-12(13)16-14(18)10-4-2-3-5-11(10)15(19)20/h6-8,10-11H,2-5H2,1H3,(H,16,18)(H,19,20)
InChIKeyOVDFQGROIAILDM-UHFFFAOYSA-N
XLogP2.43
TPSA118.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-5-nitrophenyl)-4-phenyltetrahydro-2H-pyran-4-carboxamide
CID 1260384
1-(2-Methoxy-5-nitroanilino)-1-oxopropan-2-yl cyclopentanecarboxylate
CID 24817078
N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide
CID 674958
N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)acetamide
CID 891067
N-(2-methoxy-5-nitrophenyl)-3,3-diphenylpropanamide
CID 1362633
[2-(2-Methoxy-5-nitroanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2405975
N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 2932400
N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 2939314
[1-(2-Methoxy-5-nitroanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 24687066
3-{[(2-Methoxy-4-nitrophenyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2834872
2-{[(2-Methoxy-5-methylphenyl)amino]carbonyl}cyclohexanecarboxylic acid
CID 2932758
3-Nitrobenzyl 4-[(2-methoxyphenyl)amino]-4-oxobutanoate
CID 1310312

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-methoxy-5-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 2884820) is 2-[(2-methoxy-5-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxy-5-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methoxy-5-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid is COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[(2-methoxy-5-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is OVDFQGROIAILDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6/c1-23-13-7-6-9(17(21)22)8-12(13)16-14(18)10-4-2-3-5-11(10)15(19)20/h6-8,10-11H,2-5H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(2-methoxy-5-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(2-methoxy-5-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 322.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2884820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).