N-[(Z)-2-ethylbutylideneamino]-3,4,5-trimethoxybenzamide

C16H24N2O4 — CID 9231940

IUPACN-[(Z)-2-ethylbutylideneamino]-3,4,5-trimethoxybenzamide
SMILESCCC(/C=N\NC(=O)c1cc(OC)c(OC)c(OC)c1)CC
InChIInChI=1S/C16H24N2O4/c1-6-11(7-2)10-17-18-16(19)12-8-13(20-3)15(22-5)14(9-12)21-4/h8-11H,6-7H2,1-5H3,(H,18,19)/b17-10-
InChIKeyHACMWFROMSSYBJ-YVLHZVERSA-N
MW308.38 g/mol
LogP2.86
Rot. Bonds8

About N-[(Z)-2-ethylbutylideneamino]-3,4,5-trimethoxybenzamide

N-[(Z)-2-ethylbutylideneamino]-3,4,5-trimethoxybenzamide (PubChem CID 9231940) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(Z)-2-ethylbutylideneamino]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-2-ethylbutylideneamino]-3,4,5-trimethoxybenzamide
PubChem CID9231940
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[(Z)-2-ethylbutylideneamino]-3,4,5-trimethoxybenzamide
SMILESCCC(/C=N\NC(=O)c1cc(OC)c(OC)c(OC)c1)CC
InChIInChI=1S/C16H24N2O4/c1-6-11(7-2)10-17-18-16(19)12-8-13(20-3)15(22-5)14(9-12)21-4/h8-11H,6-7H2,1-5H3,(H,18,19)/b17-10-
InChIKeyHACMWFROMSSYBJ-YVLHZVERSA-N
XLogP2.86
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.86
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-bromo-4-ethoxy-N-[(Z)-2-ethylbutylideneamino]-5-methoxybenzamide
CID 9466681
3,4,5-trimethoxy-N-(propylideneamino)benzamide
CID 3317143
3,4,5-trimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
CID 5031020
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 135738409
ethyl (2S)-2-ethyl-3-[(3,4,5-trimethoxybenzoyl)hydrazinylidene]butanoate
CID 129449329
ethyl 2-ethyl-3-[(3,4,5-trimethoxybenzoyl)hydrazinylidene]butanoate
CID 3256657
N-[(Z)-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-3,4,5-trimethoxybenzamide
CID 40571645
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 2592580
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 6907854
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 135710501
3,4,5-trimethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6076839

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-ethylbutylideneamino]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(Z)-2-ethylbutylideneamino]-3,4,5-trimethoxybenzamide (CID 9231940) is N-[(Z)-2-ethylbutylideneamino]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(Z)-2-ethylbutylideneamino]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(Z)-2-ethylbutylideneamino]-3,4,5-trimethoxybenzamide is CCC(/C=N\NC(=O)c1cc(OC)c(OC)c(OC)c1)CC.
What is the InChIKey of N-[(Z)-2-ethylbutylideneamino]-3,4,5-trimethoxybenzamide?
The InChIKey is HACMWFROMSSYBJ-YVLHZVERSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-6-11(7-2)10-17-18-16(19)12-8-13(20-3)15(22-5)14(9-12)21-4/h8-11H,6-7H2,1-5H3,(H,18,19)/b17-10-.
What are the key properties of N-[(Z)-2-ethylbutylideneamino]-3,4,5-trimethoxybenzamide?
N-[(Z)-2-ethylbutylideneamino]-3,4,5-trimethoxybenzamide has a molecular weight of 308.38 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-ethylbutylideneamino]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 9231940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).