N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide

C20H23NO6 — CID 2597144

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCc2ccc3c(c2)OCO3)cc(OC)c1OC
InChIInChI=1S/C20H23NO6/c1-23-17-8-13(9-18(24-2)20(17)25-3)5-7-19(22)21-11-14-4-6-15-16(10-14)27-12-26-15/h4,6,8-10H,5,7,11-12H2,1-3H3,(H,21,22)
InChIKeyHSQYBMSPLYALCD-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.69
Rot. Bonds8

About N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide

N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 2597144) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID2597144
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCc2ccc3c(c2)OCO3)cc(OC)c1OC
InChIInChI=1S/C20H23NO6/c1-23-17-8-13(9-18(24-2)20(17)25-3)5-7-19(22)21-11-14-4-6-15-16(10-14)27-12-26-15/h4,6,8-10H,5,7,11-12H2,1-3H3,(H,21,22)
InChIKeyHSQYBMSPLYALCD-UHFFFAOYSA-N
XLogP2.69
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-phenylethyl)-1,3-benzodioxole-5-carboxamide
CID 669595
3,4-Dimethoxy-N-(phenylmethyl)benzeneacetamide
CID 2253267
N-(2-(3,4-Dimethoxyphenyl)ethyl)-2-(4-methoxyphenyl)acetamide
CID 4321627
Chrysosporazine D
CID 146683261
(E)-N-(2-(1,3-benzodioxol-5-yl)ethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 18159637
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)propanamide
CID 1529576
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 871055
N-(1,3-benzodioxol-5-ylmethyl)benzamide
CID 2306549
N-hexadecanoyl 3,4-dimethoxybenzylamine
CID 102235522
N-Benzyl-3,4,5-trimethoxybenzamide
CID 736962
N-((2H-1,3-Benzodioxol-5-yl)methyl)ethanimidic acid
CID 290549

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 2597144) is N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)NCc2ccc3c(c2)OCO3)cc(OC)c1OC.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is HSQYBMSPLYALCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-23-17-8-13(9-18(24-2)20(17)25-3)5-7-19(22)21-11-14-4-6-15-16(10-14)27-12-26-15/h4,6,8-10H,5,7,11-12H2,1-3H3,(H,21,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 373.41 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 2597144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).