N-(2,6-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide

C17H24N2O — CID 4820

💊View drug profile → pilsicainide
IUPACN-(2,6-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)CC12CCCN1CCC2
InChIInChI=1S/C17H24N2O/c1-13-6-3-7-14(2)16(13)18-15(20)12-17-8-4-10-19(17)11-5-9-17/h3,6-7H,4-5,8-12H2,1-2H3,(H,18,20)
InChIKeyBCQTVJKBTWGHCX-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.26
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide

N-(2,6-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide (PubChem CID 4820) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide
PubChem CID4820
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(2,6-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)CC12CCCN1CCC2
InChIInChI=1S/C17H24N2O/c1-13-6-3-7-14(2)16(13)18-15(20)12-17-8-4-10-19(17)11-5-9-17/h3,6-7H,4-5,8-12H2,1-2H3,(H,18,20)
InChIKeyBCQTVJKBTWGHCX-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrocaine
CID 24361
Pilsicainide Hydrochloride
CID 114817
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N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
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N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylpropanamide
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CID 3042071
Spiro(3H-indole-3,3'-pyrrolidin)-2(1H)-one, 1'-ethyl-7-methyl-, hydrochloride (1:1)
CID 3042072
1-cyclohexyl-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2883815
1-Isopropyl-5-oxo-pyrrolidine-3-carboxylic acid (2,6-dimethyl-phenyl)-amide
CID 652475
1-benzyl-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 3602652
5-Dodecyl-2-oxo-pyrrolidine-3-carboxylic acid (2,6-diisopropyl-phenyl)-amide
CID 10321846

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide (CID 4820) is N-(2,6-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide is Cc1cccc(C)c1NC(=O)CC12CCCN1CCC2.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide?
The InChIKey is BCQTVJKBTWGHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-6-3-7-14(2)16(13)18-15(20)12-17-8-4-10-19(17)11-5-9-17/h3,6-7H,4-5,8-12H2,1-2H3,(H,18,20).
What are the key properties of N-(2,6-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide?
N-(2,6-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide has a molecular weight of 272.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide is sourced from PubChem (CID 4820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).