2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide

C17H18N2O3 — CID 3684715

IUPAC2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCCCc1ccccc1
InChIInChI=1S/C17H18N2O3/c20-17(13-15-8-10-16(11-9-15)19(21)22)18-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13H2,(H,18,20)
InChIKeyHOPWMJPAINOUQP-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.89
Rot. Bonds7

About 2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide

2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide (PubChem CID 3684715) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide
PubChem CID3684715
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCCCc1ccccc1
InChIInChI=1S/C17H18N2O3/c20-17(13-15-8-10-16(11-9-15)19(21)22)18-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13H2,(H,18,20)
InChIKeyHOPWMJPAINOUQP-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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Related Compounds

2-(4-nitrophenyl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 26518310
2-(4-aminophenyl)-N-[4-(4-nitrophenyl)butyl]acetamide;hydrochloride
CID 119778289
N-[3-(4-nitrophenyl)propyl]acetamide
CID 58774168
3-amino-N-[4-(4-nitrophenyl)butyl]propanamide
CID 119320506
N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide
CID 2054852
3-amino-N-[4-(4-nitrophenyl)butyl]propanamide;hydrochloride
CID 119320505
N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)acetamide
CID 62657388
2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide
CID 27647223
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772
2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 14180969
N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927
2,2-dimethyl-4-[4-(4-nitrophenyl)butylamino]-4-oxobutanoic acid
CID 119137649

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide (CID 3684715) is 2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCc1ccccc1.
What is the InChIKey of 2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide?
The InChIKey is HOPWMJPAINOUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-17(13-15-8-10-16(11-9-15)19(21)22)18-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13H2,(H,18,20).
What are the key properties of 2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide?
2-(4-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-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 3684715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).