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

C14H19NO4 — CID 43417966

IUPAC3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide
SMILESCCC(CO)NC(=O)CCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H19NO4/c1-2-11(8-16)15-14(17)6-4-10-3-5-12-13(7-10)19-9-18-12/h3,5,7,11,16H,2,4,6,8-9H2,1H3,(H,15,17)
InChIKeyWNIXGYQCCHXHQG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.24
Rot. Bonds6

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

3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide (PubChem CID 43417966) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide
PubChem CID43417966
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide
SMILESCCC(CO)NC(=O)CCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H19NO4/c1-2-11(8-16)15-14(17)6-4-10-3-5-12-13(7-10)19-9-18-12/h3,5,7,11,16H,2,4,6,8-9H2,1H3,(H,15,17)
InChIKeyWNIXGYQCCHXHQG-UHFFFAOYSA-N
XLogP1.24
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide
CID 7242407
3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 94064618
3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43427720
3-(1,3-benzodioxol-5-yl)-N-butylpropanamide
CID 53278203
3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920079
N-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide
CID 51276777
3-(1,3-benzodioxol-5-yl)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62520472
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropanamide
CID 18121372
3-(1,3-benzodioxol-5-yl)-N-(2-phenylbutyl)propanamide
CID 46657659
3-(1,3-benzodioxol-5-yl)-N-[1-(3,4-dimethylphenyl)ethyl]propanamide
CID 132651011
3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide
CID 16574716
3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 93239790

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide (CID 43417966) is 3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide is CCC(CO)NC(=O)CCc1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide?
The InChIKey is WNIXGYQCCHXHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-11(8-16)15-14(17)6-4-10-3-5-12-13(7-10)19-9-18-12/h3,5,7,11,16H,2,4,6,8-9H2,1H3,(H,15,17).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide?
3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide has a molecular weight of 265.31 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide is sourced from PubChem (CID 43417966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).