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

C17H19N3O3 — CID 9327204

IUPAC2-(3-nitroanilino)-N-(3-phenylpropyl)acetamide
SMILESO=C(CNc1cccc([N+](=O)[O-])c1)NCCCc1ccccc1
InChIInChI=1S/C17H19N3O3/c21-17(18-11-5-8-14-6-2-1-3-7-14)13-19-15-9-4-10-16(12-15)20(22)23/h1-4,6-7,9-10,12,19H,5,8,11,13H2,(H,18,21)
InChIKeyQPQPTAJCKXEECO-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.76
Rot. Bonds8

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

2-(3-nitroanilino)-N-(3-phenylpropyl)acetamide (PubChem CID 9327204) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(3-nitroanilino)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-nitroanilino)-N-(3-phenylpropyl)acetamide
PubChem CID9327204
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-(3-nitroanilino)-N-(3-phenylpropyl)acetamide
SMILESO=C(CNc1cccc([N+](=O)[O-])c1)NCCCc1ccccc1
InChIInChI=1S/C17H19N3O3/c21-17(18-11-5-8-14-6-2-1-3-7-14)13-19-15-9-4-10-16(12-15)20(22)23/h1-4,6-7,9-10,12,19H,5,8,11,13H2,(H,18,21)
InChIKeyQPQPTAJCKXEECO-UHFFFAOYSA-N
XLogP2.76
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Benzeneacetamide, N-(3-nitrophenyl)-
CID 531991
2-[3,4-dihydro-1(2H)-quinolinyl]-N-(2-nitrophenyl)acetamide
CID 3512309
2-[(4-fluorobenzyl)amino]-N-(2-nitrophenyl)acetamide
CID 4187904
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-nitrophenyl)methyl)amino)-
CID 454351
N-(3-nitrophenyl)-3-phenylpropanamide
CID 245648
1,1-Dibenzyl-3-(3-nitrophenyl)urea
CID 4415058
2-(4-(4-fluorophenyl)-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)-N-phenethylacetamide
CID 16017731
N-benzyl-N'-(3-nitrophenyl)butanediamide
CID 971302
2-(azepan-1-yl)-N-(3-nitrophenyl)acetamide
CID 972890
2-(azepan-1-yl)-N-(4-methyl-3-nitrophenyl)acetamide
CID 2461963
2-[benzyl(methyl)amino]-N-(4-fluoro-2-nitrophenyl)acetamide
CID 4556994
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-nitrophenyl)acetamide
CID 4785769

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitroanilino)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(3-nitroanilino)-N-(3-phenylpropyl)acetamide (CID 9327204) is 2-(3-nitroanilino)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(3-nitroanilino)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(3-nitroanilino)-N-(3-phenylpropyl)acetamide is O=C(CNc1cccc([N+](=O)[O-])c1)NCCCc1ccccc1.
What is the InChIKey of 2-(3-nitroanilino)-N-(3-phenylpropyl)acetamide?
The InChIKey is QPQPTAJCKXEECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-17(18-11-5-8-14-6-2-1-3-7-14)13-19-15-9-4-10-16(12-15)20(22)23/h1-4,6-7,9-10,12,19H,5,8,11,13H2,(H,18,21).
What are the key properties of 2-(3-nitroanilino)-N-(3-phenylpropyl)acetamide?
2-(3-nitroanilino)-N-(3-phenylpropyl)acetamide has a molecular weight of 313.36 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitroanilino)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 9327204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).