4-methoxy-3-nitro-N-(4-phenylbutan-2-yl)benzamide

C18H20N2O4 — CID 2913883

IUPAC4-methoxy-3-nitro-N-(4-phenylbutan-2-yl)benzamide
SMILESCOc1ccc(C(=O)NC(C)CCc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H20N2O4/c1-13(8-9-14-6-4-3-5-7-14)19-18(21)15-10-11-17(24-2)16(12-15)20(22)23/h3-7,10-13H,8-9H2,1-2H3,(H,19,21)
InChIKeyFQFINRPDRFGBPJ-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.35
Rot. Bonds7

About 4-methoxy-3-nitro-N-(4-phenylbutan-2-yl)benzamide

4-methoxy-3-nitro-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 2913883) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-methoxy-3-nitro-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-nitro-N-(4-phenylbutan-2-yl)benzamide
PubChem CID2913883
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name4-methoxy-3-nitro-N-(4-phenylbutan-2-yl)benzamide
SMILESCOc1ccc(C(=O)NC(C)CCc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H20N2O4/c1-13(8-9-14-6-4-3-5-7-14)19-18(21)15-10-11-17(24-2)16(12-15)20(22)23/h3-7,10-13H,8-9H2,1-2H3,(H,19,21)
InChIKeyFQFINRPDRFGBPJ-UHFFFAOYSA-N
XLogP3.35
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.35
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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-nitro-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 4-methoxy-3-nitro-N-(4-phenylbutan-2-yl)benzamide (CID 2913883) is 4-methoxy-3-nitro-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-3-nitro-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 4-methoxy-3-nitro-N-(4-phenylbutan-2-yl)benzamide is COc1ccc(C(=O)NC(C)CCc2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-3-nitro-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is FQFINRPDRFGBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13(8-9-14-6-4-3-5-7-14)19-18(21)15-10-11-17(24-2)16(12-15)20(22)23/h3-7,10-13H,8-9H2,1-2H3,(H,19,21).
What are the key properties of 4-methoxy-3-nitro-N-(4-phenylbutan-2-yl)benzamide?
4-methoxy-3-nitro-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 328.37 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-nitro-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 2913883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).