N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxypropylamino)acetamide

C13H18N2O4 — CID 43389718

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxypropylamino)acetamide
SMILESCC(O)CNCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H18N2O4/c1-9(16)7-14-8-13(17)15-10-2-3-11-12(6-10)19-5-4-18-11/h2-3,6,9,14,16H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyUKUKHWUXLCZRIH-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.37
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxypropylamino)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxypropylamino)acetamide (PubChem CID 43389718) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxypropylamino)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxypropylamino)acetamide
PubChem CID43389718
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxypropylamino)acetamide
SMILESCC(O)CNCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H18N2O4/c1-9(16)7-14-8-13(17)15-10-2-3-11-12(6-10)19-5-4-18-11/h2-3,6,9,14,16H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyUKUKHWUXLCZRIH-UHFFFAOYSA-N
XLogP0.37
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-2-hydroxypropanamide
CID 106174868
N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide
CID 2560584
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771944
2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43236461
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpentan-2-ylamino)acetamide
CID 61463651
2-(cyclopropylmethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide;hydrochloride
CID 119669227
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propan-2-ol
CID 39242231
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylsulfanylpropylamino)acetamide
CID 63967352
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 79237253
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-hydroxy-2-methylbutyl)amino]acetamide
CID 65111245
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxyamino)acetamide
CID 60702748

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxypropylamino)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxypropylamino)acetamide (CID 43389718) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxypropylamino)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxypropylamino)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxypropylamino)acetamide is CC(O)CNCC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxypropylamino)acetamide?
The InChIKey is UKUKHWUXLCZRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(16)7-14-8-13(17)15-10-2-3-11-12(6-10)19-5-4-18-11/h2-3,6,9,14,16H,4-5,7-8H2,1H3,(H,15,17).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxypropylamino)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxypropylamino)acetamide has a molecular weight of 266.30 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxypropylamino)acetamide is sourced from PubChem (CID 43389718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).