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

C29H24N4O4 — CID 45054984

IUPACN-[2-(phenylcarbamoyl)phenyl]-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C29H24N4O4/c34-27(31-23-14-5-2-6-15-23)24-16-8-9-17-25(24)32-28(35)29(36)33-30-19-22-13-7-10-18-26(22)37-20-21-11-3-1-4-12-21/h1-19H,20H2,(H,31,34)(H,32,35)(H,33,36)/b30-19+
InChIKeyYUAKPZFDUORZNO-NDZAJKAJSA-N
MW492.54 g/mol
LogP4.61
Rot. Bonds8

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

N-[2-(phenylcarbamoyl)phenyl]-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide (PubChem CID 45054984) has the molecular formula C29H24N4O4 and a molecular weight of 492.54 g/mol. Its IUPAC name is N-[2-(phenylcarbamoyl)phenyl]-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[2-(phenylcarbamoyl)phenyl]-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
PubChem CID45054984
Molecular FormulaC29H24N4O4
Molecular Weight492.54 g/mol
Exact Mass492.18
IUPAC NameN-[2-(phenylcarbamoyl)phenyl]-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C29H24N4O4/c34-27(31-23-14-5-2-6-15-23)24-16-8-9-17-25(24)32-28(35)29(36)33-30-19-22-13-7-10-18-26(22)37-20-21-11-3-1-4-12-21/h1-19H,20H2,(H,31,34)(H,32,35)(H,33,36)/b30-19+
InChIKeyYUAKPZFDUORZNO-NDZAJKAJSA-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

N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4583774
N-(4-fluorophenyl)-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6263424
N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6024308
N-naphthalen-1-yl-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
CID 51060568
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 3644481
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136808223
2-iodo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6285866
2-[4-[(Z)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6010454
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide
CID 6161305
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 4201940
N-[(2-phenylmethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 4508943
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]oxamide
CID 6139460

Frequently Asked Questions

What is the IUPAC name of N-[2-(phenylcarbamoyl)phenyl]-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-[2-(phenylcarbamoyl)phenyl]-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide (CID 45054984) is N-[2-(phenylcarbamoyl)phenyl]-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-[2-(phenylcarbamoyl)phenyl]-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-[2-(phenylcarbamoyl)phenyl]-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide is O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of N-[2-(phenylcarbamoyl)phenyl]-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide?
The InChIKey is YUAKPZFDUORZNO-NDZAJKAJSA-N. The full InChI is InChI=1S/C29H24N4O4/c34-27(31-23-14-5-2-6-15-23)24-16-8-9-17-25(24)32-28(35)29(36)33-30-19-22-13-7-10-18-26(22)37-20-21-11-3-1-4-12-21/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'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide?
N-[2-(phenylcarbamoyl)phenyl]-N'-[(E)-(2-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'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 45054984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).