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

C11H13NO4 — CID 585104

IUPACN-(2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NCCO)C1COc2ccccc2O1
InChIInChI=1S/C11H13NO4/c13-6-5-12-11(14)10-7-15-8-3-1-2-4-9(8)16-10/h1-4,10,13H,5-7H2,(H,12,14)
InChIKeyWFCCDPKTBNRANE-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.07
Rot. Bonds3

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

N-(2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 585104) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID585104
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC NameN-(2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NCCO)C1COc2ccccc2O1
InChIInChI=1S/C11H13NO4/c13-6-5-12-11(14)10-7-15-8-3-1-2-4-9(8)16-10/h1-4,10,13H,5-7H2,(H,12,14)
InChIKeyWFCCDPKTBNRANE-UHFFFAOYSA-N
XLogP-0.07
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cetamolol
CID 53698
N-1,4-Benzodioxane-2-carbonyl piperazine
CID 2735449
2-(4-(2-(((2S)-2-Hydroxy-3-phenoxypropyl)amino)ethoxy)phenoxy)-N-(2-methoxyethyl)acetamide
CID 121877
(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)(methyl)amine
CID 16714
Butamoxan
CID 20504
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
Quiloflex
CID 16828
1-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)piperidine
CID 3125219
N-Ethyl-2,3-dihydro-1,4-benzodioxin-2-methanamine
CID 30614
((2,3-Dihydro-1,4-benzodioxin-2-yl)methyl)(propyl)amine hydrochloride
CID 9552052

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 585104) is N-(2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(NCCO)C1COc2ccccc2O1.
What is the InChIKey of N-(2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is WFCCDPKTBNRANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-6-5-12-11(14)10-7-15-8-3-1-2-4-9(8)16-10/h1-4,10,13H,5-7H2,(H,12,14).
What are the key properties of N-(2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 223.23 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 585104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).