N,N-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C14H19NO3 — CID 60703627

IUPACN,N-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCN(CC)C(=O)C1Oc2ccccc2OC1C
InChIInChI=1S/C14H19NO3/c1-4-15(5-2)14(16)13-10(3)17-11-8-6-7-9-12(11)18-13/h6-10,13H,4-5H2,1-3H3
InChIKeyHNYHNEOVCOBUFA-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.08
Rot. Bonds3

About N,N-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N,N-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 60703627) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N,N-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID60703627
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN,N-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCN(CC)C(=O)C1Oc2ccccc2OC1C
InChIInChI=1S/C14H19NO3/c1-4-15(5-2)14(16)13-10(3)17-11-8-6-7-9-12(11)18-13/h6-10,13H,4-5H2,1-3H3
InChIKeyHNYHNEOVCOBUFA-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-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-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N,N-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 60703627) is N,N-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N,N-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CCN(CC)C(=O)C1Oc2ccccc2OC1C.
What is the InChIKey of N,N-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is HNYHNEOVCOBUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-15(5-2)14(16)13-10(3)17-11-8-6-7-9-12(11)18-13/h6-10,13H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N,N-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 60703627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).