N,N-dipropyl-1,3-benzodioxole-5-carboxamide

C14H19NO3 — CID 840102

IUPACN,N-dipropyl-1,3-benzodioxole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H19NO3/c1-3-7-15(8-4-2)14(16)11-5-6-12-13(9-11)18-10-17-12/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyAUNFLNYQIQZFNC-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.68
Rot. Bonds5

About N,N-dipropyl-1,3-benzodioxole-5-carboxamide

N,N-dipropyl-1,3-benzodioxole-5-carboxamide (PubChem CID 840102) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N,N-dipropyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN,N-dipropyl-1,3-benzodioxole-5-carboxamide
PubChem CID840102
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN,N-dipropyl-1,3-benzodioxole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H19NO3/c1-3-7-15(8-4-2)14(16)11-5-6-12-13(9-11)18-10-17-12/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyAUNFLNYQIQZFNC-UHFFFAOYSA-N
XLogP2.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dipropyl-1,3-benzodioxole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N,N-dipropyl-1,3-benzodioxole-5-carboxamide (CID 840102) is N,N-dipropyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N,N-dipropyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N,N-dipropyl-1,3-benzodioxole-5-carboxamide is CCCN(CCC)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N,N-dipropyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is AUNFLNYQIQZFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-7-15(8-4-2)14(16)11-5-6-12-13(9-11)18-10-17-12/h5-6,9H,3-4,7-8,10H2,1-2H3.
What are the key properties of N,N-dipropyl-1,3-benzodioxole-5-carboxamide?
N,N-dipropyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 840102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).