N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-methoxy-N-methylbenzamide

C18H20N2O4 — CID 71455328

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)/N=C/c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H20N2O4/c1-20(18(21)14-6-5-7-15(11-14)22-2)19-12-13-8-9-16(23-3)17(10-13)24-4/h5-12H,1-4H3/b19-12+
InChIKeyJYQNHTQCOXZRGR-XDHOZWIPSA-N
MW328.37 g/mol
LogP2.82
Rot. Bonds6

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-methoxy-N-methylbenzamide

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-methoxy-N-methylbenzamide (PubChem CID 71455328) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-methoxy-N-methylbenzamide
PubChem CID71455328
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)/N=C/c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H20N2O4/c1-20(18(21)14-6-5-7-15(11-14)22-2)19-12-13-8-9-16(23-3)17(10-13)24-4/h5-12H,1-4H3/b19-12+
InChIKeyJYQNHTQCOXZRGR-XDHOZWIPSA-N
XLogP2.82
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
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

N-(2-(3,4-Dimethoxyphenyl)ethyl)-3,4-dihydro-3-methyl-4-oxo-1-phthalazineacetamide
CID 1072359
(3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 3755793
2-Benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one
CID 10980260
3,4-Dimethoxy-N'-(2-methyl-3-phenyl-2-propenylidene)benzohydrazide
CID 5411894
Benzoic (4-hydroxy-3-methoxybenzylidene)hydrazide
CID 135437609
2-[(E)-{2-[(3,4-dimethoxyphenyl)carbonyl]hydrazinylidene}methyl]benzoic acid
CID 6906996
3,4-dimethoxy-N-[(E)-1-phenylbutylideneamino]benzamide
CID 5979198
N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-3,4-dimethoxybenzamide
CID 9667720
7,8-dimethoxy-2-(2-phenoxyethyl)phthalazin-1(2H)-one
CID 661377
2-Benzyl-4-(3,4-dimethoxyphenyl)phthalazin-1-one
CID 10904782
4-(3,4-Dimethoxyphenyl)-2-[(3-methoxyphenyl)methyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one
CID 11015053
N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6870698

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-methoxy-N-methylbenzamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-methoxy-N-methylbenzamide (CID 71455328) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-methoxy-N-methylbenzamide is COc1cccc(C(=O)N(C)/N=C/c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-methoxy-N-methylbenzamide?
The InChIKey is JYQNHTQCOXZRGR-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-20(18(21)14-6-5-7-15(11-14)22-2)19-12-13-8-9-16(23-3)17(10-13)24-4/h5-12H,1-4H3/b19-12+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-methoxy-N-methylbenzamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-methoxy-N-methylbenzamide has a molecular weight of 328.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 71455328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).