N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-isochromene-1-carboxamide

C19H20N2O4 — CID 45124852

IUPACN-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)C2OCCc3ccccc32)cc1OC
InChIInChI=1S/C19H20N2O4/c1-23-16-8-7-13(11-17(16)24-2)12-20-21-19(22)18-15-6-4-3-5-14(15)9-10-25-18/h3-8,11-12,18H,9-10H2,1-2H3,(H,21,22)/b20-12-
InChIKeyDGLVCCOKRDMBRN-NDENLUEZSA-N
MW340.38 g/mol
LogP2.47
Rot. Bonds5

About N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-isochromene-1-carboxamide

N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 45124852) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID45124852
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)C2OCCc3ccccc32)cc1OC
InChIInChI=1S/C19H20N2O4/c1-23-16-8-7-13(11-17(16)24-2)12-20-21-19(22)18-15-6-4-3-5-14(15)9-10-25-18/h3-8,11-12,18H,9-10H2,1-2H3,(H,21,22)/b20-12-
InChIKeyDGLVCCOKRDMBRN-NDENLUEZSA-N
XLogP2.47
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5355980
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
[4-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9234824
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6882140
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5064739
N-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide
CID 4992748
[2-methoxy-4-[(Z)-[[(1R,2S)-2-phenylcyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] acetate
CID 7434611
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 68551605
N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 46804055
(3R)-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2693889
N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 5047472

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-isochromene-1-carboxamide (CID 45124852) is N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-isochromene-1-carboxamide is COc1ccc(/C=N\NC(=O)C2OCCc3ccccc32)cc1OC.
What is the InChIKey of N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is DGLVCCOKRDMBRN-NDENLUEZSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-23-16-8-7-13(11-17(16)24-2)12-20-21-19(22)18-15-6-4-3-5-14(15)9-10-25-18/h3-8,11-12,18H,9-10H2,1-2H3,(H,21,22)/b20-12-.
What are the key properties of N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-isochromene-1-carboxamide?
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 45124852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).