N-(2-hydroxyethyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C14H19NO4 — CID 43614686

IUPACN-(2-hydroxyethyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCC(C)N(CCO)C(=O)c1cccc2c1OCCO2
InChIInChI=1S/C14H19NO4/c1-10(2)15(6-7-16)14(17)11-4-3-5-12-13(11)19-9-8-18-12/h3-5,10,16H,6-9H2,1-2H3
InChIKeyAELSCUQDLFLVHF-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.30
Rot. Bonds4

About N-(2-hydroxyethyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-(2-hydroxyethyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 43614686) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID43614686
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-(2-hydroxyethyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCC(C)N(CCO)C(=O)c1cccc2c1OCCO2
InChIInChI=1S/C14H19NO4/c1-10(2)15(6-7-16)14(17)11-4-3-5-12-13(11)19-9-8-18-12/h3-5,10,16H,6-9H2,1-2H3
InChIKeyAELSCUQDLFLVHF-UHFFFAOYSA-N
XLogP1.30
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52773193
N-[2-(2-methylpropanoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 68725763
N-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 63733821
(2R)-2-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)propanoic acid
CID 54991570
N-[(2S)-1-aminopropan-2-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
CID 120505422
N-[2-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 103512634
N-(2-hydroxy-3-methylbutyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 115701654
N-(3-amino-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 62666688
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-methylphenyl)butane-1,4-dione
CID 90363736
N-methyl-N-(3-methylbutyl)-1,3-benzodioxole-4-carboxamide
CID 87020392
2-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)-3-hydroxypropanoic acid
CID 43614580
N-[2-(2-methylpropylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 68725764

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 43614686) is N-(2-hydroxyethyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide is CC(C)N(CCO)C(=O)c1cccc2c1OCCO2.
What is the InChIKey of N-(2-hydroxyethyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is AELSCUQDLFLVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(2)15(6-7-16)14(17)11-4-3-5-12-13(11)19-9-8-18-12/h3-5,10,16H,6-9H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-(2-hydroxyethyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 43614686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).