N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C16H22N2O4 — CID 5106182

IUPACN-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1COc2ccccc2O1
InChIInChI=1S/C16H22N2O4/c19-16(17-6-3-7-18-8-10-20-11-9-18)15-12-21-13-4-1-2-5-14(13)22-15/h1-2,4-5,15H,3,6-12H2,(H,17,19)
InChIKeyAFKPUDOAONZLNQ-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.66
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 5106182) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID5106182
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1COc2ccccc2O1
InChIInChI=1S/C16H22N2O4/c19-16(17-6-3-7-18-8-10-20-11-9-18)15-12-21-13-4-1-2-5-14(13)22-15/h1-2,4-5,15H,3,6-12H2,(H,17,19)
InChIKeyAFKPUDOAONZLNQ-UHFFFAOYSA-N
XLogP0.66
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-morpholin-4-ylpropyl)-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

N-1,4-Benzodioxane-2-carbonyl piperazine
CID 2735449
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (2-hydroxy-ethyl)-amide
CID 585104
Bis-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-amine
CID 3100798
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
1-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)piperidine
CID 3125219
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2836288
1-(2,3-Dihydro-benzo[1,4]dioxine-2-carbonyl)-piperidine-4-carboxylic acid ethyl ester
CID 3151131
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2-phenoxyacetamide
CID 4779699
2,3-Dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanone
CID 2867174

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 5106182) is N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(NCCCN1CCOCC1)C1COc2ccccc2O1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is AFKPUDOAONZLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c19-16(17-6-3-7-18-8-10-20-11-9-18)15-12-21-13-4-1-2-5-14(13)22-15/h1-2,4-5,15H,3,6-12H2,(H,17,19).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 5106182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).