2,4,5-trimethoxy-N-propylbenzamide

C13H19NO4 — CID 32736700

IUPAC2,4,5-trimethoxy-N-propylbenzamide
SMILESCCCNC(=O)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C13H19NO4/c1-5-6-14-13(15)9-7-11(17-3)12(18-4)8-10(9)16-2/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyAJWAJUYPFHQBHO-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.85
Rot. Bonds6

About 2,4,5-trimethoxy-N-propylbenzamide

2,4,5-trimethoxy-N-propylbenzamide (PubChem CID 32736700) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-propylbenzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-propylbenzamide
PubChem CID32736700
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2,4,5-trimethoxy-N-propylbenzamide
SMILESCCCNC(=O)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C13H19NO4/c1-5-6-14-13(15)9-7-11(17-3)12(18-4)8-10(9)16-2/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyAJWAJUYPFHQBHO-UHFFFAOYSA-N
XLogP1.85
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-propylbenzamide?
The IUPAC name of 2,4,5-trimethoxy-N-propylbenzamide (CID 32736700) is 2,4,5-trimethoxy-N-propylbenzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-propylbenzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-propylbenzamide is CCCNC(=O)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-propylbenzamide?
The InChIKey is AJWAJUYPFHQBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-5-6-14-13(15)9-7-11(17-3)12(18-4)8-10(9)16-2/h7-8H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 2,4,5-trimethoxy-N-propylbenzamide?
2,4,5-trimethoxy-N-propylbenzamide has a molecular weight of 253.30 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-propylbenzamide is sourced from PubChem (CID 32736700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).