N-[(2R)-1-[2-(2-nitroanilino)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide

C24H24N4O4 — CID 41275510

IUPACN-[(2R)-1-[2-(2-nitroanilino)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C24H24N4O4/c29-23(19-11-5-2-6-12-19)27-21(17-18-9-3-1-4-10-18)24(30)26-16-15-25-20-13-7-8-14-22(20)28(31)32/h1-14,21,25H,15-17H2,(H,26,30)(H,27,29)/t21-/m1/s1
InChIKeyQFLBBYOEOYKQCT-OAQYLSRUSA-N
MW432.48 g/mol
LogP3.16
Rot. Bonds10

About N-[(2R)-1-[2-(2-nitroanilino)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[(2R)-1-[2-(2-nitroanilino)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 41275510) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[(2R)-1-[2-(2-nitroanilino)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-[2-(2-nitroanilino)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID41275510
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-[(2R)-1-[2-(2-nitroanilino)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C24H24N4O4/c29-23(19-11-5-2-6-12-19)27-21(17-18-9-3-1-4-10-18)24(30)26-16-15-25-20-13-7-8-14-22(20)28(31)32/h1-14,21,25H,15-17H2,(H,26,30)(H,27,29)/t21-/m1/s1
InChIKeyQFLBBYOEOYKQCT-OAQYLSRUSA-N
XLogP3.16
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[2-(2-nitroanilino)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[(2R)-1-[2-(2-nitroanilino)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 41275510) is N-[(2R)-1-[2-(2-nitroanilino)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-[2-(2-nitroanilino)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-1-[2-(2-nitroanilino)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide is O=C(N[C@H](Cc1ccccc1)C(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N-[(2R)-1-[2-(2-nitroanilino)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is QFLBBYOEOYKQCT-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24N4O4/c29-23(19-11-5-2-6-12-19)27-21(17-18-9-3-1-4-10-18)24(30)26-16-15-25-20-13-7-8-14-22(20)28(31)32/h1-14,21,25H,15-17H2,(H,26,30)(H,27,29)/t21-/m1/s1.
What are the key properties of N-[(2R)-1-[2-(2-nitroanilino)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[(2R)-1-[2-(2-nitroanilino)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 432.48 g/mol, XLogP of 3.16, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[2-(2-nitroanilino)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 41275510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).