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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Related Compounds

2,4,5-trimethoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163070
N-hexyl-2,4,5-trimethoxybenzamide
CID 32646107
N-[2-(ethylamino)ethyl]-2,4,5-trimethoxybenzamide;hydrochloride
CID 119506932
2,4,5-trimethoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733093
4-[(2,4,5-trimethoxybenzoyl)amino]butanoic acid
CID 28831828
N-(3-azidopropyl)-2,4,5-trimethoxybenzamide
CID 61344554
N-[2-(ethylamino)-2-oxoethyl]-2,4,5-trimethoxybenzamide
CID 9224367
2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
CID 836555
N-butyl-4,5-dimethoxy-2-methylbenzamide
CID 110763563
N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trimethoxybenzamide
CID 76948222
2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 8934968
2-methoxy-4-methylsulfanyl-N-propylbenzamide
CID 2271058

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).