3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-2-hydroxypropanamide

C13H17N3O5 — CID 106174868

IUPAC3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H17N3O5/c14-13(19)9(17)6-15-7-12(18)16-8-1-2-10-11(5-8)21-4-3-20-10/h1-2,5,9,15,17H,3-4,6-7H2,(H2,14,19)(H,16,18)
InChIKeyHQYLWUJOTMCFFX-UHFFFAOYSA-N
MW295.30 g/mol
LogP-1.17
Rot. Bonds6

About 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-2-hydroxypropanamide

3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-2-hydroxypropanamide (PubChem CID 106174868) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-2-hydroxypropanamide
PubChem CID106174868
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H17N3O5/c14-13(19)9(17)6-15-7-12(18)16-8-1-2-10-11(5-8)21-4-3-20-10/h1-2,5,9,15,17H,3-4,6-7H2,(H2,14,19)(H,16,18)
InChIKeyHQYLWUJOTMCFFX-UHFFFAOYSA-N
XLogP-1.17
TPSA122.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-2-hydroxypropanamide with MolForge

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxypropylamino)acetamide
CID 43389718
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771944
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutanediamide
CID 82122330
N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide
CID 2560584
2-(cyclopropylmethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide;hydrochloride
CID 119669227
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-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,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-sulfanylidenebutanamide
CID 82122796
2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 60841575
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-hydroxy-2-methylbutyl)amino]acetamide
CID 65111245

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-2-hydroxypropanamide?
The IUPAC name of 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-2-hydroxypropanamide (CID 106174868) is 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-2-hydroxypropanamide is NC(=O)C(O)CNCC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-2-hydroxypropanamide?
The InChIKey is HQYLWUJOTMCFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c14-13(19)9(17)6-15-7-12(18)16-8-1-2-10-11(5-8)21-4-3-20-10/h1-2,5,9,15,17H,3-4,6-7H2,(H2,14,19)(H,16,18).
What are the key properties of 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-2-hydroxypropanamide?
3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-2-hydroxypropanamide has a molecular weight of 295.30 g/mol, XLogP of -1.17, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-2-hydroxypropanamide is sourced from PubChem (CID 106174868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).