3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide

C18H28N2O4 — CID 19685354

IUPAC3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide
SMILESCCC/C(C)=N/NC(=O)c1cc(OCC)c(OCC)c(OCC)c1
InChIInChI=1S/C18H28N2O4/c1-6-10-13(5)19-20-18(21)14-11-15(22-7-2)17(24-9-4)16(12-14)23-8-3/h11-12H,6-10H2,1-5H3,(H,20,21)/b19-13+
InChIKeyRNUYOMVLCSGNQU-CPNJWEJPSA-N
MW336.43 g/mol
LogP3.79
Rot. Bonds10

About 3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide

3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide (PubChem CID 19685354) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide
PubChem CID19685354
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide
SMILESCCC/C(C)=N/NC(=O)c1cc(OCC)c(OCC)c(OCC)c1
InChIInChI=1S/C18H28N2O4/c1-6-10-13(5)19-20-18(21)14-11-15(22-7-2)17(24-9-4)16(12-14)23-8-3/h11-12H,6-10H2,1-5H3,(H,20,21)/b19-13+
InChIKeyRNUYOMVLCSGNQU-CPNJWEJPSA-N
XLogP3.79
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.79
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

3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6311607
4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6026016
3,4,5-triethoxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4109578
3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 3718576
N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide
CID 6114549
4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 9070750
3,4,5-triethoxy-N-[(Z)-1-pyridin-3-ylethylideneamino]benzamide
CID 6036284
N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide
CID 22830699
3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 4105259
3-bromo-4-ethoxy-N-(heptan-4-ylideneamino)-5-methoxybenzamide
CID 9466612
3,4,5-triethoxy-N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]benzamide
CID 6055861
3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4059850

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide (CID 19685354) is 3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide is CCC/C(C)=N/NC(=O)c1cc(OCC)c(OCC)c(OCC)c1.
What is the InChIKey of 3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide?
The InChIKey is RNUYOMVLCSGNQU-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-6-10-13(5)19-20-18(21)14-11-15(22-7-2)17(24-9-4)16(12-14)23-8-3/h11-12H,6-10H2,1-5H3,(H,20,21)/b19-13+.
What are the key properties of 3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide?
3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide has a molecular weight of 336.43 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide is sourced from PubChem (CID 19685354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).