3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide

C22H28N2O6 — CID 3718576

IUPAC3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
SMILESCCOc1cc(C(=O)NN=C(C)c2ccc(O)c(OC)c2)cc(OCC)c1OCC
InChIInChI=1S/C22H28N2O6/c1-6-28-19-12-16(13-20(29-7-2)21(19)30-8-3)22(26)24-23-14(4)15-9-10-17(25)18(11-15)27-5/h9-13,25H,6-8H2,1-5H3,(H,24,26)
InChIKeyRKUYPGZPDFLZPA-UHFFFAOYSA-N
MW416.47 g/mol
LogP3.75
Rot. Bonds10

About 3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide

3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide (PubChem CID 3718576) has the molecular formula C22H28N2O6 and a molecular weight of 416.47 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
PubChem CID3718576
Molecular FormulaC22H28N2O6
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Name3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
SMILESCCOc1cc(C(=O)NN=C(C)c2ccc(O)c(OC)c2)cc(OCC)c1OCC
InChIInChI=1S/C22H28N2O6/c1-6-28-19-12-16(13-20(29-7-2)21(19)30-8-3)22(26)24-23-14(4)15-9-10-17(25)18(11-15)27-5/h9-13,25H,6-8H2,1-5H3,(H,24,26)
InChIKeyRKUYPGZPDFLZPA-UHFFFAOYSA-N
XLogP3.75
TPSA98.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 135685330
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657
N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide
CID 22830699
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 135554267
3,4-dichloro-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 4131490
N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide
CID 5076368
3,4,5-triethoxy-N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]benzamide
CID 6055861
3,4,5-triethoxy-N-[(Z)-1-pyridin-3-ylethylideneamino]benzamide
CID 6036284
3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide
CID 19685354
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3543843
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 135683419
N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-4-ethoxybenzamide
CID 9214852

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide (CID 3718576) is 3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide is CCOc1cc(C(=O)NN=C(C)c2ccc(O)c(OC)c2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide?
The InChIKey is RKUYPGZPDFLZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6/c1-6-28-19-12-16(13-20(29-7-2)21(19)30-8-3)22(26)24-23-14(4)15-9-10-17(25)18(11-15)27-5/h9-13,25H,6-8H2,1-5H3,(H,24,26).
What are the key properties of 3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide?
3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide has a molecular weight of 416.47 g/mol, XLogP of 3.75, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 3718576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).