2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide

C18H19NO3 — CID 110767409

IUPAC2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)NCCCc1ccccc1
InChIInChI=1S/C18H19NO3/c20-18(19-10-4-7-14-5-2-1-3-6-14)12-15-8-9-16-17(11-15)22-13-21-16/h1-3,5-6,8-9,11H,4,7,10,12-13H2,(H,19,20)
InChIKeyOMGYNYABFXXBKH-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.71
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide

2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide (PubChem CID 110767409) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide
PubChem CID110767409
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)NCCCc1ccccc1
InChIInChI=1S/C18H19NO3/c20-18(19-10-4-7-14-5-2-1-3-6-14)12-15-8-9-16-17(11-15)22-13-21-16/h1-3,5-6,8-9,11H,4,7,10,12-13H2,(H,19,20)
InChIKeyOMGYNYABFXXBKH-UHFFFAOYSA-N
XLogP2.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-phenylpropyl)acetamide
CID 108998701
3-(1,3-benzodioxol-5-ylmethylamino)-N-(3-phenylpropyl)propanamide
CID 109022749
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-phenylpropyl)propanamide
CID 31946678
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenylpropylamino)acetamide
CID 108998826
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]acetamide
CID 110633665
2-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 110767389
N-[3-(1,3-benzodioxol-5-yl)propyl]-2-bromobenzamide
CID 110371214
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 110627843
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 8924126
2-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-N-(3-phenylpropyl)acetamide
CID 60605299
2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]acetic acid
CID 82291803
N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-3-phenylpropanamide
CID 113055114

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide (CID 110767409) is 2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide is O=C(Cc1ccc2c(c1)OCO2)NCCCc1ccccc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide?
The InChIKey is OMGYNYABFXXBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-18(19-10-4-7-14-5-2-1-3-6-14)12-15-8-9-16-17(11-15)22-13-21-16/h1-3,5-6,8-9,11H,4,7,10,12-13H2,(H,19,20).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide?
2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide has a molecular weight of 297.35 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 110767409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).