4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide

C20H24N2O5 — CID 19170787

IUPAC4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1
InChIInChI=1S/C20H24N2O5/c1-3-4-5-6-13-27-17-10-7-15(8-11-17)20(23)21-18-12-9-16(22(24)25)14-19(18)26-2/h7-12,14H,3-6,13H2,1-2H3,(H,21,23)
InChIKeyOQBVWCCIERMUDR-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.81
Rot. Bonds10

About 4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide

4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide (PubChem CID 19170787) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide
PubChem CID19170787
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1
InChIInChI=1S/C20H24N2O5/c1-3-4-5-6-13-27-17-10-7-15(8-11-17)20(23)21-18-12-9-16(22(24)25)14-19(18)26-2/h7-12,14H,3-6,13H2,1-2H3,(H,21,23)
InChIKeyOQBVWCCIERMUDR-UHFFFAOYSA-N
XLogP4.81
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide
CID 2899922
3-bromo-4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 54781642
4-heptoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 4950611
4-butoxy-N-(2-methyl-4-nitrophenyl)benzamide
CID 4936149
N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-4-pentoxybenzamide
CID 4935632
4-butoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 2246098
butyl 4-[2-(2-methoxy-4-nitroanilino)-2-oxoethoxy]benzoate
CID 7984528
4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658
4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2213710
N-(2-methoxy-4-nitrophenyl)undecanamide
CID 4164516
N-(2-methoxy-4-nitrophenyl)octadecanamide
CID 108745127
4-(butanoylamino)-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2952481

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide?
The IUPAC name of 4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide (CID 19170787) is 4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide.
What is the SMILES notation for 4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide?
The canonical SMILES for 4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide is CCCCCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1.
What is the InChIKey of 4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide?
The InChIKey is OQBVWCCIERMUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-3-4-5-6-13-27-17-10-7-15(8-11-17)20(23)21-18-12-9-16(22(24)25)14-19(18)26-2/h7-12,14H,3-6,13H2,1-2H3,(H,21,23).
What are the key properties of 4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide?
4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide has a molecular weight of 372.42 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide is sourced from PubChem (CID 19170787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).