3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide

C17H18N2O4 — CID 5427560

IUPAC3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C\c2ccccc2OC)c1
InChIInChI=1S/C17H18N2O4/c1-21-14-8-13(9-15(10-14)22-2)17(20)19-18-11-12-6-4-5-7-16(12)23-3/h4-11H,1-3H3,(H,19,20)/b18-11-
InChIKeyMTRYPIUKSWWDEV-WQRHYEAKSA-N
MW314.34 g/mol
LogP2.48
Rot. Bonds6

About 3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide

3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide (PubChem CID 5427560) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
PubChem CID5427560
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C\c2ccccc2OC)c1
InChIInChI=1S/C17H18N2O4/c1-21-14-8-13(9-15(10-14)22-2)17(20)19-18-11-12-6-4-5-7-16(12)23-3/h4-11H,1-3H3,(H,19,20)/b18-11-
InChIKeyMTRYPIUKSWWDEV-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-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide
CID 3090224
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5404678
N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215609
N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methoxyphenyl]methylideneamino]benzamide
CID 135688473
N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide
CID 966844
N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 6874644
N-[(E)-(2,4-dimethylphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 6893140
N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide
CID 3660325
N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 2592580
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 6907854

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide (CID 5427560) is 3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide is COc1cc(OC)cc(C(=O)N/N=C\c2ccccc2OC)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is MTRYPIUKSWWDEV-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-21-14-8-13(9-15(10-14)22-2)17(20)19-18-11-12-6-4-5-7-16(12)23-3/h4-11H,1-3H3,(H,19,20)/b18-11-.
What are the key properties of 3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide?
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide 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 3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5427560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).