N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide

C29H24N4O4 — CID 6024308

IUPACN-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C29H24N4O4/c34-27(31-23-11-5-2-6-12-23)25-13-7-8-14-26(25)32-28(35)29(36)33-30-19-21-15-17-24(18-16-21)37-20-22-9-3-1-4-10-22/h1-19H,20H2,(H,31,34)(H,32,35)(H,33,36)/b30-19-
InChIKeyWGACKYQGLZSSAB-FSGOGVSDSA-N
MW492.54 g/mol
LogP4.61
Rot. Bonds8

About N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide

N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide (PubChem CID 6024308) has the molecular formula C29H24N4O4 and a molecular weight of 492.54 g/mol. Its IUPAC name is N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
PubChem CID6024308
Molecular FormulaC29H24N4O4
Molecular Weight492.54 g/mol
Exact Mass492.18
IUPAC NameN-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C29H24N4O4/c34-27(31-23-11-5-2-6-12-23)25-13-7-8-14-26(25)32-28(35)29(36)33-30-19-21-15-17-24(18-16-21)37-20-22-9-3-1-4-10-22/h1-19H,20H2,(H,31,34)(H,32,35)(H,33,36)/b30-19-
InChIKeyWGACKYQGLZSSAB-FSGOGVSDSA-N
XLogP4.61
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(Z)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6010454
2-[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6024920
N-[2-(phenylcarbamoyl)phenyl]-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
CID 45054984
N'-[(4-butoxyphenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide
CID 3631981
N'-[(4-chlorophenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide
CID 5239737
N-(4-ethylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3862743
methyl 4-[(Z)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]benzoate
CID 92844354
[4-[[[2-[2-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
CID 4094463
N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3990065
N-(4-butylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3329595
N-[2-[(4-methylphenyl)carbamoyl]phenyl]-N'-[[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide
CID 3437930
N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 5335817

Frequently Asked Questions

What is the IUPAC name of N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide (CID 6024308) is N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide is O=C(N/N=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide?
The InChIKey is WGACKYQGLZSSAB-FSGOGVSDSA-N. The full InChI is InChI=1S/C29H24N4O4/c34-27(31-23-11-5-2-6-12-23)25-13-7-8-14-26(25)32-28(35)29(36)33-30-19-21-15-17-24(18-16-21)37-20-22-9-3-1-4-10-22/h1-19H,20H2,(H,31,34)(H,32,35)(H,33,36)/b30-19-.
What are the key properties of N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide?
N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide has a molecular weight of 492.54 g/mol, XLogP of 4.61, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 6024308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).