N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide

C15H16N2O3 — CID 3238528

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide
SMILESO=C(CCn1cccc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H16N2O3/c18-15(5-8-17-6-1-2-7-17)16-10-12-3-4-13-14(9-12)20-11-19-13/h1-4,6-7,9H,5,8,10-11H2,(H,16,18)
InChIKeyFVHLTBLINOUVHZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.92
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide

N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide (PubChem CID 3238528) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide
PubChem CID3238528
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide
SMILESO=C(CCn1cccc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H16N2O3/c18-15(5-8-17-6-1-2-7-17)16-10-12-3-4-13-14(9-12)20-11-19-13/h1-4,6-7,9H,5,8,10-11H2,(H,16,18)
InChIKeyFVHLTBLINOUVHZ-UHFFFAOYSA-N
XLogP1.92
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
CID 2810954
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 9036242
N-(1,3-benzodioxol-5-ylmethyl)-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687848
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18108119
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109022602
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131937873
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-benzyl-2,3-dioxopiperazin-1-yl)propanamide
CID 46344339
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 3541728
6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide
CID 42764530
N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide
CID 9112024
N-(1,3-benzodioxol-5-ylmethyl)-4-indol-1-yl-4-oxobutanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide (CID 3238528) is N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide is O=C(CCn1cccc1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is FVHLTBLINOUVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-15(5-8-17-6-1-2-7-17)16-10-12-3-4-13-14(9-12)20-11-19-13/h1-4,6-7,9H,5,8,10-11H2,(H,16,18).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 272.30 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 3238528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).