3-(1,3-benzodioxol-5-yl)-N-(4-hydroxypentyl)propanamide

C15H21NO4 — CID 107300178

IUPAC3-(1,3-benzodioxol-5-yl)-N-(4-hydroxypentyl)propanamide
SMILESCC(O)CCCNC(=O)CCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H21NO4/c1-11(17)3-2-8-16-15(18)7-5-12-4-6-13-14(9-12)20-10-19-13/h4,6,9,11,17H,2-3,5,7-8,10H2,1H3,(H,16,18)
InChIKeyCXZVPFACUVMDRX-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.63
Rot. Bonds7

About 3-(1,3-benzodioxol-5-yl)-N-(4-hydroxypentyl)propanamide

3-(1,3-benzodioxol-5-yl)-N-(4-hydroxypentyl)propanamide (PubChem CID 107300178) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-(4-hydroxypentyl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-(4-hydroxypentyl)propanamide
PubChem CID107300178
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-(4-hydroxypentyl)propanamide
SMILESCC(O)CCCNC(=O)CCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H21NO4/c1-11(17)3-2-8-16-15(18)7-5-12-4-6-13-14(9-12)20-10-19-13/h4,6,9,11,17H,2-3,5,7-8,10H2,1H3,(H,16,18)
InChIKeyCXZVPFACUVMDRX-UHFFFAOYSA-N
XLogP1.63
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-butylpropanamide
CID 53278203
3-(1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)propanamide
CID 43417651
(2S)-4-[3-(1,3-benzodioxol-5-yl)propanoylamino]-2-hydroxybutanoic acid
CID 107834218
N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide
CID 110833221
(2R)-2-amino-N-[3-(1,3-benzodioxol-5-yl)propyl]propanamide
CID 14620802
3-(1,3-benzodioxol-5-yl)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 18121430
3-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]butanamide
CID 115154322
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-phenylpropyl)propanamide
CID 31946678
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dimethylphenyl)propanamide
CID 18129704
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 18132174
3-(1,3-benzodioxol-5-yl)-N-[3-(2-oxoazepan-1-yl)propyl]propanamide
CID 46521646
3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 66169219

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(4-hydroxypentyl)propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(4-hydroxypentyl)propanamide (CID 107300178) is 3-(1,3-benzodioxol-5-yl)-N-(4-hydroxypentyl)propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-(4-hydroxypentyl)propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-(4-hydroxypentyl)propanamide is CC(O)CCCNC(=O)CCc1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-(4-hydroxypentyl)propanamide?
The InChIKey is CXZVPFACUVMDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11(17)3-2-8-16-15(18)7-5-12-4-6-13-14(9-12)20-10-19-13/h4,6,9,11,17H,2-3,5,7-8,10H2,1H3,(H,16,18).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-(4-hydroxypentyl)propanamide?
3-(1,3-benzodioxol-5-yl)-N-(4-hydroxypentyl)propanamide has a molecular weight of 279.34 g/mol, XLogP of 1.63, 7 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-(4-hydroxypentyl)propanamide is sourced from PubChem (CID 107300178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).