N'-(4-nitrophenyl)-N-(2-phenylethyl)oxamide

C16H15N3O4 — CID 2891010

IUPACN'-(4-nitrophenyl)-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O4/c20-15(17-11-10-12-4-2-1-3-5-12)16(21)18-13-6-8-14(9-7-13)19(22)23/h1-9H,10-11H2,(H,17,20)(H,18,21)
InChIKeyIEXHSFGGVPWMPS-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.89
Rot. Bonds5

About N'-(4-nitrophenyl)-N-(2-phenylethyl)oxamide

N'-(4-nitrophenyl)-N-(2-phenylethyl)oxamide (PubChem CID 2891010) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N'-(4-nitrophenyl)-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-(4-nitrophenyl)-N-(2-phenylethyl)oxamide
PubChem CID2891010
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN'-(4-nitrophenyl)-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O4/c20-15(17-11-10-12-4-2-1-3-5-12)16(21)18-13-6-8-14(9-7-13)19(22)23/h1-9H,10-11H2,(H,17,20)(H,18,21)
InChIKeyIEXHSFGGVPWMPS-UHFFFAOYSA-N
XLogP1.89
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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 N'-(4-nitrophenyl)-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-(4-nitrophenyl)-N-(2-phenylethyl)oxamide (CID 2891010) is N'-(4-nitrophenyl)-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-(4-nitrophenyl)-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-(4-nitrophenyl)-N-(2-phenylethyl)oxamide is O=C(NCCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-(4-nitrophenyl)-N-(2-phenylethyl)oxamide?
The InChIKey is IEXHSFGGVPWMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c20-15(17-11-10-12-4-2-1-3-5-12)16(21)18-13-6-8-14(9-7-13)19(22)23/h1-9H,10-11H2,(H,17,20)(H,18,21).
What are the key properties of N'-(4-nitrophenyl)-N-(2-phenylethyl)oxamide?
N'-(4-nitrophenyl)-N-(2-phenylethyl)oxamide has a molecular weight of 313.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-nitrophenyl)-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 2891010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).