N,N'-bis(2-benzylphenyl)oxamide

C28H24N2O2 — CID 2749119

IUPACN,N'-bis(2-benzylphenyl)oxamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C28H24N2O2/c31-27(29-25-17-9-7-15-23(25)19-21-11-3-1-4-12-21)28(32)30-26-18-10-8-16-24(26)20-22-13-5-2-6-14-22/h1-18H,19-20H2,(H,29,31)(H,30,32)
InChIKeyKNHMZKZCWQYDLJ-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.45
Rot. Bonds6

About N,N'-bis(2-benzylphenyl)oxamide

N,N'-bis(2-benzylphenyl)oxamide (PubChem CID 2749119) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is N,N'-bis(2-benzylphenyl)oxamide.

Molecular Properties

Compound NameN,N'-bis(2-benzylphenyl)oxamide
PubChem CID2749119
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC NameN,N'-bis(2-benzylphenyl)oxamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C28H24N2O2/c31-27(29-25-17-9-7-15-23(25)19-21-11-3-1-4-12-21)28(32)30-26-18-10-8-16-24(26)20-22-13-5-2-6-14-22/h1-18H,19-20H2,(H,29,31)(H,30,32)
InChIKeyKNHMZKZCWQYDLJ-UHFFFAOYSA-N
XLogP5.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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[(2R)-1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]azanium
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1-(2-benzylphenyl)-3-butan-2-ylurea
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N-(2-benzylphenyl)-3-(2-fluorophenyl)propanamide
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N-(2-benzylphenyl)pyrazine-2-carboxamide
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2-amino-N-(2-benzylphenyl)-3-methylpentanamide
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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-benzylphenyl)oxamide?
The IUPAC name of N,N'-bis(2-benzylphenyl)oxamide (CID 2749119) is N,N'-bis(2-benzylphenyl)oxamide.
What is the SMILES notation for N,N'-bis(2-benzylphenyl)oxamide?
The canonical SMILES for N,N'-bis(2-benzylphenyl)oxamide is O=C(Nc1ccccc1Cc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N,N'-bis(2-benzylphenyl)oxamide?
The InChIKey is KNHMZKZCWQYDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2/c31-27(29-25-17-9-7-15-23(25)19-21-11-3-1-4-12-21)28(32)30-26-18-10-8-16-24(26)20-22-13-5-2-6-14-22/h1-18H,19-20H2,(H,29,31)(H,30,32).
What are the key properties of N,N'-bis(2-benzylphenyl)oxamide?
N,N'-bis(2-benzylphenyl)oxamide has a molecular weight of 420.51 g/mol, XLogP of 5.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-benzylphenyl)oxamide is sourced from PubChem (CID 2749119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).