N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C21H20N2O6 — CID 6862540

IUPACN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCOc1cccc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1OC
InChIInChI=1S/C21H20N2O6/c1-13-9-20(25)29-18-10-15(7-8-16(13)18)28-12-19(24)23-22-11-14-5-4-6-17(26-2)21(14)27-3/h4-11H,12H2,1-3H3,(H,23,24)/b22-11+
InChIKeyJAAJVNOBBCMOSO-SSDVNMTOSA-N
MW396.40 g/mol
LogP2.65
Rot. Bonds7

About N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 6862540) has the molecular formula C21H20N2O6 and a molecular weight of 396.40 g/mol. Its IUPAC name is N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID6862540
Molecular FormulaC21H20N2O6
Molecular Weight396.40 g/mol
Exact Mass396.13
IUPAC NameN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCOc1cccc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1OC
InChIInChI=1S/C21H20N2O6/c1-13-9-20(25)29-18-10-15(7-8-16(13)18)28-12-19(24)23-22-11-14-5-4-6-17(26-2)21(14)27-3/h4-11H,12H2,1-3H3,(H,23,24)/b22-11+
InChIKeyJAAJVNOBBCMOSO-SSDVNMTOSA-N
XLogP2.65
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 3557372
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 9412255
(2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7934790
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 135716895
2-(4-tert-butylphenoxy)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 5450742
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-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 3557369
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]acetamide
CID 9316730
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 6911040

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 6862540) is N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is COc1cccc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1OC.
What is the InChIKey of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is JAAJVNOBBCMOSO-SSDVNMTOSA-N. The full InChI is InChI=1S/C21H20N2O6/c1-13-9-20(25)29-18-10-15(7-8-16(13)18)28-12-19(24)23-22-11-14-5-4-6-17(26-2)21(14)27-3/h4-11H,12H2,1-3H3,(H,23,24)/b22-11+.
What are the key properties of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 396.40 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 6862540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).