N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C12H15NO3 — CID 3138623

IUPACN-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC(C)NC(=O)C1COc2ccccc2O1
InChIInChI=1S/C12H15NO3/c1-8(2)13-12(14)11-7-15-9-5-3-4-6-10(9)16-11/h3-6,8,11H,7H2,1-2H3,(H,13,14)
InChIKeyFPZHUXFJOZTVIX-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.35
Rot. Bonds2

About N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 3138623) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID3138623
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC(C)NC(=O)C1COc2ccccc2O1
InChIInChI=1S/C12H15NO3/c1-8(2)13-12(14)11-7-15-9-5-3-4-6-10(9)16-11/h3-6,8,11H,7H2,1-2H3,(H,13,14)
InChIKeyFPZHUXFJOZTVIX-UHFFFAOYSA-N
XLogP1.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-propan-2-yl-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

Related Compounds

Viloxazine
CID 5666
Cetamolol
CID 53698
N-1,4-Benzodioxane-2-carbonyl piperazine
CID 2735449
(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)(methyl)amine
CID 16714
Butamoxan
CID 20504
N-cyclohexyl-2-phenoxyacetamide
CID 832666
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (2-hydroxy-ethyl)-amide
CID 585104
2-(Isopropyl(methyl)amino)ethyl 2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylate hydrochloride
CID 2893826
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenoxyacetamide
CID 3135701
ethyl N-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)glycinate
CID 3756954
N-cyclohexyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 425322
1-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)-4-methylpiperidine
CID 2843517

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 3138623) is N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CC(C)NC(=O)C1COc2ccccc2O1.
What is the InChIKey of N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is FPZHUXFJOZTVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(2)13-12(14)11-7-15-9-5-3-4-6-10(9)16-11/h3-6,8,11H,7H2,1-2H3,(H,13,14).
What are the key properties of N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 3138623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).