N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide

C24H22N4O5 — CID 4201940

IUPACN'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
SMILESCOc1cccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)c1O
InChIInChI=1S/C24H22N4O5/c1-15-7-5-9-17(13-15)26-22(30)18-10-3-4-11-19(18)27-23(31)24(32)28-25-14-16-8-6-12-20(33-2)21(16)29/h3-14,29H,1-2H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyYNESGUBUBDTILH-UHFFFAOYSA-N
MW446.46 g/mol
LogP3.05
Rot. Bonds6

About N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide

N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide (PubChem CID 4201940) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide.

Molecular Properties

Compound NameN'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
PubChem CID4201940
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC NameN'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
SMILESCOc1cccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)c1O
InChIInChI=1S/C24H22N4O5/c1-15-7-5-9-17(13-15)26-22(30)18-10-3-4-11-19(18)27-23(31)24(32)28-25-14-16-8-6-12-20(33-2)21(16)29/h3-14,29H,1-2H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyYNESGUBUBDTILH-UHFFFAOYSA-N
XLogP3.05
TPSA129.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 3644481
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 4171439
N'-(benzylideneamino)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 5060623
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 5146554
[2-methoxy-4-[(Z)-[[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6310638
N-(2-bromophenyl)-N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 4029992
N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide
CID 136704523
1-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 136816674
N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 6028561
N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 136739203
2-chloro-N-[3-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 136897253
N-(2-ethylphenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 135554301

Frequently Asked Questions

What is the IUPAC name of N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide?
The IUPAC name of N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide (CID 4201940) is N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide.
What is the SMILES notation for N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide?
The canonical SMILES for N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide is COc1cccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)c1O.
What is the InChIKey of N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide?
The InChIKey is YNESGUBUBDTILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5/c1-15-7-5-9-17(13-15)26-22(30)18-10-3-4-11-19(18)27-23(31)24(32)28-25-14-16-8-6-12-20(33-2)21(16)29/h3-14,29H,1-2H3,(H,26,30)(H,27,31)(H,28,32).
What are the key properties of N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide?
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide has a molecular weight of 446.46 g/mol, XLogP of 3.05, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide is sourced from PubChem (CID 4201940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).