N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide

C19H22N2O4 — CID 110507170

IUPACN-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1c(OC)cc(/C=N/NC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C19H22N2O4/c1-4-10-25-18-16(23-2)11-14(12-17(18)24-3)13-20-21-19(22)15-8-6-5-7-9-15/h5-9,11-13H,4,10H2,1-3H3,(H,21,22)/b20-13+
InChIKeyHQFAHBNZKVJUPT-DEDYPNTBSA-N
MW342.40 g/mol
LogP3.26
Rot. Bonds8

About N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide

N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide (PubChem CID 110507170) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide
PubChem CID110507170
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1c(OC)cc(/C=N/NC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C19H22N2O4/c1-4-10-25-18-16(23-2)11-14(12-17(18)24-3)13-20-21-19(22)15-8-6-5-7-9-15/h5-9,11-13H,4,10H2,1-3H3,(H,21,22)/b20-13+
InChIKeyHQFAHBNZKVJUPT-DEDYPNTBSA-N
XLogP3.26
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.26
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

4-amino-N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 110514915
1-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-3-phenylurea
CID 110508753
4-ethoxy-N-[(Z)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 29148846
[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]urea
CID 110539433
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 900213
N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 70231096
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658848
N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526723
3-ethoxy-N-[(E)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 126329810
N-[(E)-(3-methoxy-5-nitro-4-propoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 110506734
3-ethoxy-N-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126320076
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658847

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide?
The IUPAC name of N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide (CID 110507170) is N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide is CCCOc1c(OC)cc(/C=N/NC(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide?
The InChIKey is HQFAHBNZKVJUPT-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-10-25-18-16(23-2)11-14(12-17(18)24-3)13-20-21-19(22)15-8-6-5-7-9-15/h5-9,11-13H,4,10H2,1-3H3,(H,21,22)/b20-13+.
What are the key properties of N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide?
N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide has a molecular weight of 342.40 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 110507170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).