N-(2-methoxyphenyl)-N'-[(4-oxochromen-3-yl)methylideneamino]oxamide

C19H15N3O5 — CID 4563866

IUPACN-(2-methoxyphenyl)-N'-[(4-oxochromen-3-yl)methylideneamino]oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NN=Cc1coc2ccccc2c1=O
InChIInChI=1S/C19H15N3O5/c1-26-16-9-5-3-7-14(16)21-18(24)19(25)22-20-10-12-11-27-15-8-4-2-6-13(15)17(12)23/h2-11H,1H3,(H,21,24)(H,22,25)
InChIKeyDPVKQTOUWNXKNP-UHFFFAOYSA-N
MW365.35 g/mol
LogP1.89
Rot. Bonds4

About N-(2-methoxyphenyl)-N'-[(4-oxochromen-3-yl)methylideneamino]oxamide

N-(2-methoxyphenyl)-N'-[(4-oxochromen-3-yl)methylideneamino]oxamide (PubChem CID 4563866) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N'-[(4-oxochromen-3-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N'-[(4-oxochromen-3-yl)methylideneamino]oxamide
PubChem CID4563866
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC NameN-(2-methoxyphenyl)-N'-[(4-oxochromen-3-yl)methylideneamino]oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NN=Cc1coc2ccccc2c1=O
InChIInChI=1S/C19H15N3O5/c1-26-16-9-5-3-7-14(16)21-18(24)19(25)22-20-10-12-11-27-15-8-4-2-6-13(15)17(12)23/h2-11H,1H3,(H,21,24)(H,22,25)
InChIKeyDPVKQTOUWNXKNP-UHFFFAOYSA-N
XLogP1.89
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-methoxyphenyl)-N'-[(E)-(4-oxochromen-3-yl)methylideneamino]oxamide
CID 51060763
N-(2-methoxyphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 2250526
N-(2-methoxyphenyl)-N'-[(2-nitrophenyl)methylideneamino]oxamide
CID 5108255
N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 5334540
N'-[(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3615821
N'-[(4-fluorophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3102438
N-(3-chloro-2-methylphenyl)-N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]oxamide
CID 4227337
N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 5334344
N-(2-methoxyphenyl)-N'-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]oxamide
CID 51061190
4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 2248354
2-bromo-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 999899
N-(2,4-dimethoxyphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 4133149

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N'-[(4-oxochromen-3-yl)methylideneamino]oxamide?
The IUPAC name of N-(2-methoxyphenyl)-N'-[(4-oxochromen-3-yl)methylideneamino]oxamide (CID 4563866) is N-(2-methoxyphenyl)-N'-[(4-oxochromen-3-yl)methylideneamino]oxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N'-[(4-oxochromen-3-yl)methylideneamino]oxamide?
The canonical SMILES for N-(2-methoxyphenyl)-N'-[(4-oxochromen-3-yl)methylideneamino]oxamide is COc1ccccc1NC(=O)C(=O)NN=Cc1coc2ccccc2c1=O.
What is the InChIKey of N-(2-methoxyphenyl)-N'-[(4-oxochromen-3-yl)methylideneamino]oxamide?
The InChIKey is DPVKQTOUWNXKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5/c1-26-16-9-5-3-7-14(16)21-18(24)19(25)22-20-10-12-11-27-15-8-4-2-6-13(15)17(12)23/h2-11H,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(2-methoxyphenyl)-N'-[(4-oxochromen-3-yl)methylideneamino]oxamide?
N-(2-methoxyphenyl)-N'-[(4-oxochromen-3-yl)methylideneamino]oxamide has a molecular weight of 365.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N'-[(4-oxochromen-3-yl)methylideneamino]oxamide is sourced from PubChem (CID 4563866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).