N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide

C17H18N2O4 — CID 6026549

IUPACN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C\c2cc(OC)ccc2OC)c1
InChIInChI=1S/C17H18N2O4/c1-21-14-6-4-5-12(9-14)17(20)19-18-11-13-10-15(22-2)7-8-16(13)23-3/h4-11H,1-3H3,(H,19,20)/b18-11-
InChIKeyGQXQZCOUKWSVIB-WQRHYEAKSA-N
MW314.34 g/mol
LogP2.48
Rot. Bonds6

About N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide

N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide (PubChem CID 6026549) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
PubChem CID6026549
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C\c2cc(OC)ccc2OC)c1
InChIInChI=1S/C17H18N2O4/c1-21-14-6-4-5-12(9-14)17(20)19-18-11-13-10-15(22-2)7-8-16(13)23-3/h4-11H,1-3H3,(H,19,20)/b18-11-
InChIKeyGQXQZCOUKWSVIB-WQRHYEAKSA-N
XLogP2.48
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.48
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

N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 5391556
N-[(2,5-dimethoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3949968
N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 4193667
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3,4-dihydroxybenzamide;hydrate
CID 139077599
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
N-[(2,5-dimethoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 939992
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 3295281
3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide
CID 1245790
N-[(2,5-dimethoxyphenyl)methylideneamino]-2,2-diphenoxyacetamide
CID 3406373
N-[(2,6-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 4148096

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide?
The IUPAC name of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide (CID 6026549) is N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide?
The canonical SMILES for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide is COc1cccc(C(=O)N/N=C\c2cc(OC)ccc2OC)c1.
What is the InChIKey of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide?
The InChIKey is GQXQZCOUKWSVIB-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-21-14-6-4-5-12(9-14)17(20)19-18-11-13-10-15(22-2)7-8-16(13)23-3/h4-11H,1-3H3,(H,19,20)/b18-11-.
What are the key properties of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide?
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide has a molecular weight of 314.34 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide is sourced from PubChem (CID 6026549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).