N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide

C18H20N2O3 — CID 647525

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C)C(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccccn1
InChIInChI=1S/C18H20N2O3/c1-13(2)18(21)20(11-15-5-3-4-8-19-15)10-14-6-7-16-17(9-14)23-12-22-16/h3-9,13H,10-12H2,1-2H3
InChIKeyMZMNBUATLOHAGD-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.00
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide

N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 647525) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
PubChem CID647525
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C)C(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccccn1
InChIInChI=1S/C18H20N2O3/c1-13(2)18(21)20(11-15-5-3-4-8-19-15)10-14-6-7-16-17(9-14)23-12-22-16/h3-9,13H,10-12H2,1-2H3
InChIKeyMZMNBUATLOHAGD-UHFFFAOYSA-N
XLogP3.00
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide (CID 647525) is N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide is CC(C)C(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccccn1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is MZMNBUATLOHAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(2)18(21)20(11-15-5-3-4-8-19-15)10-14-6-7-16-17(9-14)23-12-22-16/h3-9,13H,10-12H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 312.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 647525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).