3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide

C14H19NO5 — CID 66169219

IUPAC3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
SMILESCC(O)(CO)CNC(=O)CCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H19NO5/c1-14(18,8-16)7-15-13(17)5-3-10-2-4-11-12(6-10)20-9-19-11/h2,4,6,16,18H,3,5,7-9H2,1H3,(H,15,17)
InChIKeyWGGLRMMHMKUWIL-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.21
Rot. Bonds6

About 3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide

3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide (PubChem CID 66169219) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
PubChem CID66169219
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
SMILESCC(O)(CO)CNC(=O)CCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H19NO5/c1-14(18,8-16)7-15-13(17)5-3-10-2-4-11-12(6-10)20-9-19-11/h2,4,6,16,18H,3,5,7-9H2,1H3,(H,15,17)
InChIKeyWGGLRMMHMKUWIL-UHFFFAOYSA-N
XLogP0.21
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide
CID 110833221
3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 66169617
3-(1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)propanamide
CID 43417651
3-(1,3-benzodioxol-5-yl)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62520472
N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide
CID 66171129
3-(1,3-benzodioxol-5-yl)-N-butylpropanamide
CID 53278203
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide
CID 100699977
N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 24641729
3-(1,3-benzodioxol-5-yl)-N-(1,1-diphenylethyl)propanamide
CID 56522758
3-(1,3-benzodioxol-5-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 91954466
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropanamide
CID 53288864
3-(1,3-benzodioxol-5-yl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
CID 114750923

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide (CID 66169219) is 3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide is CC(O)(CO)CNC(=O)CCc1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide?
The InChIKey is WGGLRMMHMKUWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(18,8-16)7-15-13(17)5-3-10-2-4-11-12(6-10)20-9-19-11/h2,4,6,16,18H,3,5,7-9H2,1H3,(H,15,17).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide?
3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide has a molecular weight of 281.31 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide is sourced from PubChem (CID 66169219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).