N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide

C15H16N2O3 — CID 112522048

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
SMILESCc1cc(CC(=O)NCc2ccc3c(c2)OCO3)c[nH]1
InChIInChI=1S/C15H16N2O3/c1-10-4-12(8-16-10)6-15(18)17-7-11-2-3-13-14(5-11)20-9-19-13/h2-5,8,16H,6-7,9H2,1H3,(H,17,18)
InChIKeyBNDMIRWFVWYTOW-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.91
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide (PubChem CID 112522048) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
PubChem CID112522048
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
SMILESCc1cc(CC(=O)NCc2ccc3c(c2)OCO3)c[nH]1
InChIInChI=1S/C15H16N2O3/c1-10-4-12(8-16-10)6-15(18)17-7-11-2-3-13-14(5-11)20-9-19-13/h2-5,8,16H,6-7,9H2,1H3,(H,17,18)
InChIKeyBNDMIRWFVWYTOW-UHFFFAOYSA-N
XLogP1.91
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 112513932
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N-(1,3-benzodioxol-5-ylmethyl)-3,3-dimethylbutanamide
CID 670795
5-(1,3-benzodioxol-5-ylmethylamino)-3,3-dimethyl-5-oxopentanoate
CID 7189349
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CID 108997703
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
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CID 74246041
N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide
CID 110697623
N-(1,3-benzodioxol-5-ylmethyl)-2-(tert-butylamino)acetamide
CID 27149961
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
CID 673797
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 2812444
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-fluorophenyl)propanediamide
CID 108947217

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide (CID 112522048) is N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide is Cc1cc(CC(=O)NCc2ccc3c(c2)OCO3)c[nH]1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The InChIKey is BNDMIRWFVWYTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-4-12(8-16-10)6-15(18)17-7-11-2-3-13-14(5-11)20-9-19-13/h2-5,8,16H,6-7,9H2,1H3,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide has a molecular weight of 272.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 112522048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).