N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C19H16N2O5 — CID 135550888

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccccc3O)ccc12
InChIInChI=1S/C19H16N2O5/c1-12-8-19(24)26-17-9-14(6-7-15(12)17)25-11-18(23)21-20-10-13-4-2-3-5-16(13)22/h2-10,22H,11H2,1H3,(H,21,23)/b20-10+
InChIKeyUOCMOACDAUPYOD-KEBDBYFISA-N
MW352.35 g/mol
LogP2.34
Rot. Bonds5

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 135550888) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID135550888
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccccc3O)ccc12
InChIInChI=1S/C19H16N2O5/c1-12-8-19(24)26-17-9-14(6-7-15(12)17)25-11-18(23)21-20-10-13-4-2-3-5-16(13)22/h2-10,22H,11H2,1H3,(H,21,23)/b20-10+
InChIKeyUOCMOACDAUPYOD-KEBDBYFISA-N
XLogP2.34
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', '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-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 135550888) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccccc3O)ccc12.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is UOCMOACDAUPYOD-KEBDBYFISA-N. The full InChI is InChI=1S/C19H16N2O5/c1-12-8-19(24)26-17-9-14(6-7-15(12)17)25-11-18(23)21-20-10-13-4-2-3-5-16(13)22/h2-10,22H,11H2,1H3,(H,21,23)/b20-10+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 352.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 135550888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).