N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide

C26H26N4O6 — CID 46804116

IUPACN-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cccc(/C=N/NC(=O)c3ccc(OC)c(OC)c3)c2)cc1OC
InChIInChI=1S/C26H26N4O6/c1-33-21-10-8-19(13-23(21)35-3)25(31)29-27-15-17-6-5-7-18(12-17)16-28-30-26(32)20-9-11-22(34-2)24(14-20)36-4/h5-16H,1-4H3,(H,29,31)(H,30,32)/b27-15+,28-16+
InChIKeyKBHLAHBKNUCHAK-DPCVLPDWSA-N
MW490.52 g/mol
LogP3.25
Rot. Bonds10

About N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide

N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide (PubChem CID 46804116) has the molecular formula C26H26N4O6 and a molecular weight of 490.52 g/mol. Its IUPAC name is N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
PubChem CID46804116
Molecular FormulaC26H26N4O6
Molecular Weight490.52 g/mol
Exact Mass490.19
IUPAC NameN-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cccc(/C=N/NC(=O)c3ccc(OC)c(OC)c3)c2)cc1OC
InChIInChI=1S/C26H26N4O6/c1-33-21-10-8-19(13-23(21)35-3)25(31)29-27-15-17-6-5-7-18(12-17)16-28-30-26(32)20-9-11-22(34-2)24(14-20)36-4/h5-16H,1-4H3,(H,29,31)(H,30,32)/b27-15+,28-16+
InChIKeyKBHLAHBKNUCHAK-DPCVLPDWSA-N
XLogP3.25
TPSA119.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6910508
N-[(3-chlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693736
N-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693745
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
3,4-dimethoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 5335848
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6906719
3-methoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 126324319
N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126329870
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5064739
N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 71537752
N-[(E)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126324774

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide (CID 46804116) is N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N/N=C/c2cccc(/C=N/NC(=O)c3ccc(OC)c(OC)c3)c2)cc1OC.
What is the InChIKey of N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide?
The InChIKey is KBHLAHBKNUCHAK-DPCVLPDWSA-N. The full InChI is InChI=1S/C26H26N4O6/c1-33-21-10-8-19(13-23(21)35-3)25(31)29-27-15-17-6-5-7-18(12-17)16-28-30-26(32)20-9-11-22(34-2)24(14-20)36-4/h5-16H,1-4H3,(H,29,31)(H,30,32)/b27-15+,28-16+.
What are the key properties of N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide?
N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide has a molecular weight of 490.52 g/mol, XLogP of 3.25, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide is sourced from PubChem (CID 46804116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).