N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide

C23H30N2O6 — CID 22830699

IUPACN-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)N/N=C(\C)c2ccc(OC)cc2OC)cc(OCC)c1OCC
InChIInChI=1S/C23H30N2O6/c1-7-29-20-12-16(13-21(30-8-2)22(20)31-9-3)23(26)25-24-15(4)18-11-10-17(27-5)14-19(18)28-6/h10-14H,7-9H2,1-6H3,(H,25,26)/b24-15+
InChIKeyZPYDPDPXQXFYSO-BUVRLJJBSA-N
MW430.50 g/mol
LogP4.05
Rot. Bonds11

About N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide

N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide (PubChem CID 22830699) has the molecular formula C23H30N2O6 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide
PubChem CID22830699
Molecular FormulaC23H30N2O6
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC NameN-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)N/N=C(\C)c2ccc(OC)cc2OC)cc(OCC)c1OCC
InChIInChI=1S/C23H30N2O6/c1-7-29-20-12-16(13-21(30-8-2)22(20)31-9-3)23(26)25-24-15(4)18-11-10-17(27-5)14-19(18)28-6/h10-14H,7-9H2,1-6H3,(H,25,26)/b24-15+
InChIKeyZPYDPDPXQXFYSO-BUVRLJJBSA-N
XLogP4.05
TPSA87.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 78596498
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-hexoxybenzamide
CID 4930636
4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 3380721
3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 3718576
4-amino-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide;oxalic acid
CID 163326318
2,4-dimethoxy-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 873053
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 9359358
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6259144
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]benzamide
CID 135752121
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928995
N-[1-(4-ethylphenyl)ethylideneamino]-2,4-dimethoxybenzamide
CID 4224310

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide?
The IUPAC name of N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide (CID 22830699) is N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide?
The canonical SMILES for N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)N/N=C(\C)c2ccc(OC)cc2OC)cc(OCC)c1OCC.
What is the InChIKey of N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide?
The InChIKey is ZPYDPDPXQXFYSO-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H30N2O6/c1-7-29-20-12-16(13-21(30-8-2)22(20)31-9-3)23(26)25-24-15(4)18-11-10-17(27-5)14-19(18)28-6/h10-14H,7-9H2,1-6H3,(H,25,26)/b24-15+.
What are the key properties of N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide?
N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide has a molecular weight of 430.50 g/mol, XLogP of 4.05, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide is sourced from PubChem (CID 22830699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).