2-(4-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide

C18H20N2O3 — CID 2914298

IUPAC2-(4-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H20N2O3/c1-14(7-8-15-5-3-2-4-6-15)19-18(21)13-16-9-11-17(12-10-16)20(22)23/h2-6,9-12,14H,7-8,13H2,1H3,(H,19,21)
InChIKeyOKMRBROQHLYMHT-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.27
Rot. Bonds7

About 2-(4-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide

2-(4-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 2914298) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide
PubChem CID2914298
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-(4-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H20N2O3/c1-14(7-8-15-5-3-2-4-6-15)19-18(21)13-16-9-11-17(12-10-16)20(22)23/h2-6,9-12,14H,7-8,13H2,1H3,(H,19,21)
InChIKeyOKMRBROQHLYMHT-UHFFFAOYSA-N
XLogP3.27
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(4-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide (CID 2914298) is 2-(4-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is OKMRBROQHLYMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-14(7-8-15-5-3-2-4-6-15)19-18(21)13-16-9-11-17(12-10-16)20(22)23/h2-6,9-12,14H,7-8,13H2,1H3,(H,19,21).
What are the key properties of 2-(4-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide?
2-(4-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 312.37 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 2914298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).