N'-[(4-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide

C23H20N4O4 — CID 3571505

IUPACN'-[(4-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(O)cc2)c1
InChIInChI=1S/C23H20N4O4/c1-15-5-4-6-17(13-15)25-21(29)19-7-2-3-8-20(19)26-22(30)23(31)27-24-14-16-9-11-18(28)12-10-16/h2-14,28H,1H3,(H,25,29)(H,26,30)(H,27,31)
InChIKeyLJBWDCXGVDWVMR-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.04
Rot. Bonds5

About N'-[(4-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide

N'-[(4-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide (PubChem CID 3571505) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is N'-[(4-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide.

Molecular Properties

Compound NameN'-[(4-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
PubChem CID3571505
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC NameN'-[(4-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(O)cc2)c1
InChIInChI=1S/C23H20N4O4/c1-15-5-4-6-17(13-15)25-21(29)19-7-2-3-8-20(19)26-22(30)23(31)27-24-14-16-9-11-18(28)12-10-16/h2-14,28H,1H3,(H,25,29)(H,26,30)(H,27,31)
InChIKeyLJBWDCXGVDWVMR-UHFFFAOYSA-N
XLogP3.04
TPSA119.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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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Frequently Asked Questions

What is the IUPAC name of N'-[(4-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide?
The IUPAC name of N'-[(4-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide (CID 3571505) is N'-[(4-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide.
What is the SMILES notation for N'-[(4-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide?
The canonical SMILES for N'-[(4-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide is Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(O)cc2)c1.
What is the InChIKey of N'-[(4-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide?
The InChIKey is LJBWDCXGVDWVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-15-5-4-6-17(13-15)25-21(29)19-7-2-3-8-20(19)26-22(30)23(31)27-24-14-16-9-11-18(28)12-10-16/h2-14,28H,1H3,(H,25,29)(H,26,30)(H,27,31).
What are the key properties of N'-[(4-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide?
N'-[(4-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide has a molecular weight of 416.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide is sourced from PubChem (CID 3571505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).