2-(2-nitrophenyl)-N-(3-phenylpropyl)acetamide

C17H18N2O3 — CID 2181642

IUPAC2-(2-nitrophenyl)-N-(3-phenylpropyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NCCCc1ccccc1
InChIInChI=1S/C17H18N2O3/c20-17(13-15-10-4-5-11-16(15)19(21)22)18-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11H,6,9,12-13H2,(H,18,20)
InChIKeyFKASKSNJKWDMLJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.89
Rot. Bonds7

About 2-(2-nitrophenyl)-N-(3-phenylpropyl)acetamide

2-(2-nitrophenyl)-N-(3-phenylpropyl)acetamide (PubChem CID 2181642) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-(3-phenylpropyl)acetamide
PubChem CID2181642
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-(2-nitrophenyl)-N-(3-phenylpropyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NCCCc1ccccc1
InChIInChI=1S/C17H18N2O3/c20-17(13-15-10-4-5-11-16(15)19(21)22)18-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11H,6,9,12-13H2,(H,18,20)
InChIKeyFKASKSNJKWDMLJ-UHFFFAOYSA-N
XLogP2.89
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-(3-phenylpropyl)acetamide (CID 2181642) is 2-(2-nitrophenyl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-(3-phenylpropyl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])NCCCc1ccccc1.
What is the InChIKey of 2-(2-nitrophenyl)-N-(3-phenylpropyl)acetamide?
The InChIKey is FKASKSNJKWDMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-17(13-15-10-4-5-11-16(15)19(21)22)18-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11H,6,9,12-13H2,(H,18,20).
What are the key properties of 2-(2-nitrophenyl)-N-(3-phenylpropyl)acetamide?
2-(2-nitrophenyl)-N-(3-phenylpropyl)acetamide has a molecular weight of 298.34 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 2181642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).