N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C22H20N2O5 — CID 3557372

IUPACN-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESC=CCc1cccc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1O
InChIInChI=1S/C22H20N2O5/c1-3-5-15-6-4-7-16(22(15)27)12-23-24-20(25)13-28-17-8-9-18-14(2)10-21(26)29-19(18)11-17/h3-4,6-12,27H,1,5,13H2,2H3,(H,24,25)
InChIKeyYJTPCUFVNADBTA-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.06
Rot. Bonds7

About N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 3557372) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID3557372
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC NameN-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESC=CCc1cccc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1O
InChIInChI=1S/C22H20N2O5/c1-3-5-15-6-4-7-16(22(15)27)12-23-24-20(25)13-28-17-8-9-18-14(2)10-21(26)29-19(18)11-17/h3-4,6-12,27H,1,5,13H2,2H3,(H,24,25)
InChIKeyYJTPCUFVNADBTA-UHFFFAOYSA-N
XLogP3.06
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.06
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 135716895
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 6862540
2-(4-ethylphenoxy)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135698892
2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 136794162
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 9412255
N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 3557369
N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 136718830
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412335
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412099
N-[(Z)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412039
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide
CID 9218208
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412162

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 3557372) is N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is C=CCc1cccc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1O.
What is the InChIKey of N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is YJTPCUFVNADBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-3-5-15-6-4-7-16(22(15)27)12-23-24-20(25)13-28-17-8-9-18-14(2)10-21(26)29-19(18)11-17/h3-4,6-12,27H,1,5,13H2,2H3,(H,24,25).
What are the key properties of N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 392.41 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 3557372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).