2-(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide

C17H18N2O3 — CID 3104541

IUPAC2-(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide
SMILESCC(Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O3/c1-13(11-14-5-3-2-4-6-14)18-17(20)12-15-7-9-16(10-8-15)19(21)22/h2-10,13H,11-12H2,1H3,(H,18,20)
InChIKeyLUXUUWDULZGQHI-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.88
Rot. Bonds6

About 2-(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide

2-(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide (PubChem CID 3104541) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide
PubChem CID3104541
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide
SMILESCC(Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O3/c1-13(11-14-5-3-2-4-6-14)18-17(20)12-15-7-9-16(10-8-15)19(21)22/h2-10,13H,11-12H2,1H3,(H,18,20)
InChIKeyLUXUUWDULZGQHI-UHFFFAOYSA-N
XLogP2.88
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.88
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-(1-phenylpropan-2-yl)acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide (CID 3104541) is 2-(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide is CC(Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide?
The InChIKey is LUXUUWDULZGQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-13(11-14-5-3-2-4-6-14)18-17(20)12-15-7-9-16(10-8-15)19(21)22/h2-10,13H,11-12H2,1H3,(H,18,20).
What are the key properties of 2-(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide?
2-(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide has a molecular weight of 298.34 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 3104541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).