N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide

C20H25N3O4 — CID 134130530

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(OCCN(C)C)cc2)cc1OC
InChIInChI=1S/C20H25N3O4/c1-23(2)11-12-27-17-8-6-16(7-9-17)20(24)22-21-14-15-5-10-18(25-3)19(13-15)26-4/h5-10,13-14H,11-12H2,1-4H3,(H,22,24)/b21-14+
InChIKeyKAPRKINGRZSVGM-KGENOOAVSA-N
MW371.44 g/mol
LogP2.41
Rot. Bonds9

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide (PubChem CID 134130530) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide
PubChem CID134130530
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(OCCN(C)C)cc2)cc1OC
InChIInChI=1S/C20H25N3O4/c1-23(2)11-12-27-17-8-6-16(7-9-17)20(24)22-21-14-15-5-10-18(25-3)19(13-15)26-4/h5-10,13-14H,11-12H2,1-4H3,(H,22,24)/b21-14+
InChIKeyKAPRKINGRZSVGM-KGENOOAVSA-N
XLogP2.41
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Itopride
CID 3792
Itopride Hydrochloride
CID 129791
N'-benzylidene-1,3-benzodioxole-5-carbohydrazide
CID 6872189
N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 5503194
4-(benzyloxy)-N'-[(E)-phenylmethylidene]benzohydrazide
CID 9598505
3,4-Dimethoxy-N'-(2-methyl-3-phenyl-2-propenylidene)benzohydrazide
CID 5411894
Benzoic (4-hydroxy-3-methoxybenzylidene)hydrazide
CID 135437609
4-Methoxybenzoic benzylidenehydrazide
CID 9562118
2-[(E)-{2-[(3,4-dimethoxyphenyl)carbonyl]hydrazinylidene}methyl]benzoic acid
CID 6906996
N'-(4-(benzyloxy)-3-methoxybenzylidene)benzo[d][1,3]dioxole-5-carbohydrazide
CID 9618971
(Z)-N'-((3E,5E)-6-phenylhexa-3,5-dien-2-ylidene)-2,3-dihydrobenzo[b][1,4]dioxine-6-carbohydrazide
CID 5920278
3,4-dimethoxy-N-[(E)-1-phenylbutylideneamino]benzamide
CID 5979198

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide (CID 134130530) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide is COc1ccc(/C=N/NC(=O)c2ccc(OCCN(C)C)cc2)cc1OC.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide?
The InChIKey is KAPRKINGRZSVGM-KGENOOAVSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-23(2)11-12-27-17-8-6-16(7-9-17)20(24)22-21-14-15-5-10-18(25-3)19(13-15)26-4/h5-10,13-14H,11-12H2,1-4H3,(H,22,24)/b21-14+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide has a molecular weight of 371.44 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide is sourced from PubChem (CID 134130530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).