N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide

C14H18N2O4 — CID 798555

IUPACN-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCCC1
InChIInChI=1S/C14H18N2O4/c1-20-13-8-7-11(16(18)19)9-12(13)15-14(17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,15,17)
InChIKeyVUCOSAVLRFEKJW-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.12
Rot. Bonds4

About N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide

N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide (PubChem CID 798555) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
PubChem CID798555
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCCC1
InChIInChI=1S/C14H18N2O4/c1-20-13-8-7-11(16(18)19)9-12(13)15-14(17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,15,17)
InChIKeyVUCOSAVLRFEKJW-UHFFFAOYSA-N
XLogP3.12
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide
CID 99970147
2-amino-N-(2-methoxy-5-nitrophenyl)cyclohexane-1-carboxamide
CID 64822909
N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152327
1-cyclopentyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081334
2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9265449
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183
N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
CID 16773964
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
CID 103602349
N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide
CID 47191407
[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 24687066
(3S)-N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide
CID 1121382

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide (CID 798555) is N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCCC1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide?
The InChIKey is VUCOSAVLRFEKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-13-8-7-11(16(18)19)9-12(13)15-14(17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,15,17).
What are the key properties of N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide?
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide has a molecular weight of 278.31 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide is sourced from PubChem (CID 798555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).