N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C20H18N2O5 — CID 135550889

IUPACN-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1ccc(O)c(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1
InChIInChI=1S/C20H18N2O5/c1-12-3-6-17(23)14(7-12)10-21-22-19(24)11-26-15-4-5-16-13(2)8-20(25)27-18(16)9-15/h3-10,23H,11H2,1-2H3,(H,22,24)/b21-10+
InChIKeyQFBDFRPUZGNEQF-UFFVCSGVSA-N
MW366.37 g/mol
LogP2.64
Rot. Bonds5

About N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 135550889) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID135550889
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC NameN-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1ccc(O)c(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1
InChIInChI=1S/C20H18N2O5/c1-12-3-6-17(23)14(7-12)10-21-22-19(24)11-26-15-4-5-16-13(2)8-20(25)27-18(16)9-15/h3-10,23H,11H2,1-2H3,(H,22,24)/b21-10+
InChIKeyQFBDFRPUZGNEQF-UFFVCSGVSA-N
XLogP2.64
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.64
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-hydroxy-5-methylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 135550889) is N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1ccc(O)c(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is QFBDFRPUZGNEQF-UFFVCSGVSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-12-3-6-17(23)14(7-12)10-21-22-19(24)11-26-15-4-5-16-13(2)8-20(25)27-18(16)9-15/h3-10,23H,11H2,1-2H3,(H,22,24)/b21-10+.
What are the key properties of N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 366.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 135550889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).