3,4,5-trimethoxy-N-(propylideneamino)benzamide

C13H18N2O4 — CID 3317143

IUPAC3,4,5-trimethoxy-N-(propylideneamino)benzamide
SMILESCCC=NNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C13H18N2O4/c1-5-6-14-15-13(16)9-7-10(17-2)12(19-4)11(8-9)18-3/h6-8H,5H2,1-4H3,(H,15,16)
InChIKeyGIBITTICRLTIOV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.84
Rot. Bonds6

About 3,4,5-trimethoxy-N-(propylideneamino)benzamide

3,4,5-trimethoxy-N-(propylideneamino)benzamide (PubChem CID 3317143) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(propylideneamino)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(propylideneamino)benzamide
PubChem CID3317143
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3,4,5-trimethoxy-N-(propylideneamino)benzamide
SMILESCCC=NNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C13H18N2O4/c1-5-6-14-15-13(16)9-7-10(17-2)12(19-4)11(8-9)18-3/h6-8H,5H2,1-4H3,(H,15,16)
InChIKeyGIBITTICRLTIOV-UHFFFAOYSA-N
XLogP1.84
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.84
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

N-[(Z)-2-ethylbutylideneamino]-3,4,5-trimethoxybenzamide
CID 9231940
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
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
3,4-dimethoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 5335848
3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
CID 6910456
N-[(Z)-(6-hydroxy-2,4-dimethoxy-3-nitrophenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 136908103
3,4,5-trimethoxy-N-sulfanylbenzamide
CID 59695341
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(propylideneamino)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(propylideneamino)benzamide (CID 3317143) is 3,4,5-trimethoxy-N-(propylideneamino)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(propylideneamino)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(propylideneamino)benzamide is CCC=NNC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 3,4,5-trimethoxy-N-(propylideneamino)benzamide?
The InChIKey is GIBITTICRLTIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-5-6-14-15-13(16)9-7-10(17-2)12(19-4)11(8-9)18-3/h6-8H,5H2,1-4H3,(H,15,16).
What are the key properties of 3,4,5-trimethoxy-N-(propylideneamino)benzamide?
3,4,5-trimethoxy-N-(propylideneamino)benzamide has a molecular weight of 266.30 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(propylideneamino)benzamide is sourced from PubChem (CID 3317143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).