4-nitro-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide

C19H21N3O4 — CID 18159360

IUPAC4-nitro-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide
SMILESCC(CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C19H21N3O4/c1-14(15-5-3-2-4-6-15)13-21-18(23)11-12-20-19(24)16-7-9-17(10-8-16)22(25)26/h2-10,14H,11-13H2,1H3,(H,20,24)(H,21,23)
InChIKeyGOFKICSPIVFQCA-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.63
Rot. Bonds8

About 4-nitro-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide

4-nitro-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide (PubChem CID 18159360) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-nitro-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide.

Molecular Properties

Compound Name4-nitro-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide
PubChem CID18159360
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name4-nitro-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide
SMILESCC(CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C19H21N3O4/c1-14(15-5-3-2-4-6-15)13-21-18(23)11-12-20-19(24)16-7-9-17(10-8-16)22(25)26/h2-10,14H,11-13H2,1H3,(H,20,24)(H,21,23)
InChIKeyGOFKICSPIVFQCA-UHFFFAOYSA-N
XLogP2.63
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

4-nitro-N-[3-oxo-3-[[(2R)-2-phenylpropyl]amino]propyl]benzamide
CID 9301414
4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide
CID 24636628
N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide
CID 42908904
4-methyl-2-[[3-[(4-nitrobenzoyl)amino]propanoylamino]methyl]pentanoic acid
CID 119252668
4-nitro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide
CID 9482968
2-[3-[(4-nitrobenzoyl)amino]propanoylamino]propanoic acid
CID 119224934
2-[3-[(4-nitrobenzoyl)amino]propanoylamino]acetic acid
CID 119171145
4-fluoro-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702481
4-iodo-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702488
methyl 2-[3-[(4-nitrobenzoyl)amino]propanoylamino]propanoate
CID 52988701
4-methyl-3-nitro-N-[(2S)-2-phenylpropyl]benzamide
CID 26778619
N-[3-(2-ethylanilino)-3-oxopropyl]-4-nitrobenzamide
CID 2674902

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide?
The IUPAC name of 4-nitro-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide (CID 18159360) is 4-nitro-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide.
What is the SMILES notation for 4-nitro-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide?
The canonical SMILES for 4-nitro-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide is CC(CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of 4-nitro-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide?
The InChIKey is GOFKICSPIVFQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-14(15-5-3-2-4-6-15)13-21-18(23)11-12-20-19(24)16-7-9-17(10-8-16)22(25)26/h2-10,14H,11-13H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 4-nitro-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide?
4-nitro-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide has a molecular weight of 355.39 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide is sourced from PubChem (CID 18159360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).