N'-(benzylideneamino)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide

C23H20N4O3 — CID 5060623

IUPACN'-(benzylideneamino)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccccc2)c1
InChIInChI=1S/C23H20N4O3/c1-16-8-7-11-18(14-16)25-21(28)19-12-5-6-13-20(19)26-22(29)23(30)27-24-15-17-9-3-2-4-10-17/h2-15H,1H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeySHWUTLZGZVSHBE-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.34
Rot. Bonds5

About N'-(benzylideneamino)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide

N'-(benzylideneamino)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide (PubChem CID 5060623) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N'-(benzylideneamino)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide.

Molecular Properties

Compound NameN'-(benzylideneamino)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
PubChem CID5060623
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC NameN'-(benzylideneamino)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccccc2)c1
InChIInChI=1S/C23H20N4O3/c1-16-8-7-11-18(14-16)25-21(28)19-12-5-6-13-20(19)26-22(29)23(30)27-24-15-17-9-3-2-4-10-17/h2-15H,1H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeySHWUTLZGZVSHBE-UHFFFAOYSA-N
XLogP3.34
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'-(benzylideneamino)-N-(3-methylphenyl)oxamide
CID 4143039
N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 6028561
[4-[(Z)-[[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 6141807
N-[2-[(3-methylphenyl)carbamoyl]phenyl]-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
CID 6022812
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 4171439
[2-methoxy-4-[(Z)-[[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6310638
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 4201940
[4-bromo-2-[(Z)-[[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6173927
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-bromophenyl)methylideneamino]oxamide
CID 6019349
methyl 4-[(Z)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]benzoate
CID 92844354
N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 6010711
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 92844365

Frequently Asked Questions

What is the IUPAC name of N'-(benzylideneamino)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide?
The IUPAC name of N'-(benzylideneamino)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide (CID 5060623) is N'-(benzylideneamino)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide.
What is the SMILES notation for N'-(benzylideneamino)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide?
The canonical SMILES for N'-(benzylideneamino)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide is Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccccc2)c1.
What is the InChIKey of N'-(benzylideneamino)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide?
The InChIKey is SHWUTLZGZVSHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-16-8-7-11-18(14-16)25-21(28)19-12-5-6-13-20(19)26-22(29)23(30)27-24-15-17-9-3-2-4-10-17/h2-15H,1H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of N'-(benzylideneamino)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide?
N'-(benzylideneamino)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide has a molecular weight of 400.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzylideneamino)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide is sourced from PubChem (CID 5060623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).