3-(2-methylpentanoyl)-2-pyrrolidin-3-ylbenzamide

C17H24N2O2 — CID 121435573

IUPAC3-(2-methylpentanoyl)-2-pyrrolidin-3-ylbenzamide
SMILESCCCC(C)C(=O)c1cccc(C(N)=O)c1C1CCNC1
InChIInChI=1S/C17H24N2O2/c1-3-5-11(2)16(20)13-6-4-7-14(17(18)21)15(13)12-8-9-19-10-12/h4,6-7,11-12,19H,3,5,8-10H2,1-2H3,(H2,18,21)
InChIKeyJXZVBAYTPLHOJR-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.48
Rot. Bonds6

About 3-(2-methylpentanoyl)-2-pyrrolidin-3-ylbenzamide

3-(2-methylpentanoyl)-2-pyrrolidin-3-ylbenzamide (PubChem CID 121435573) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(2-methylpentanoyl)-2-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name3-(2-methylpentanoyl)-2-pyrrolidin-3-ylbenzamide
PubChem CID121435573
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-(2-methylpentanoyl)-2-pyrrolidin-3-ylbenzamide
SMILESCCCC(C)C(=O)c1cccc(C(N)=O)c1C1CCNC1
InChIInChI=1S/C17H24N2O2/c1-3-5-11(2)16(20)13-6-4-7-14(17(18)21)15(13)12-8-9-19-10-12/h4,6-7,11-12,19H,3,5,8-10H2,1-2H3,(H2,18,21)
InChIKeyJXZVBAYTPLHOJR-UHFFFAOYSA-N
XLogP2.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentanoyl)-2-pyrrolidin-3-ylbenzamide?
The IUPAC name of 3-(2-methylpentanoyl)-2-pyrrolidin-3-ylbenzamide (CID 121435573) is 3-(2-methylpentanoyl)-2-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 3-(2-methylpentanoyl)-2-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 3-(2-methylpentanoyl)-2-pyrrolidin-3-ylbenzamide is CCCC(C)C(=O)c1cccc(C(N)=O)c1C1CCNC1.
What is the InChIKey of 3-(2-methylpentanoyl)-2-pyrrolidin-3-ylbenzamide?
The InChIKey is JXZVBAYTPLHOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-5-11(2)16(20)13-6-4-7-14(17(18)21)15(13)12-8-9-19-10-12/h4,6-7,11-12,19H,3,5,8-10H2,1-2H3,(H2,18,21).
What are the key properties of 3-(2-methylpentanoyl)-2-pyrrolidin-3-ylbenzamide?
3-(2-methylpentanoyl)-2-pyrrolidin-3-ylbenzamide has a molecular weight of 288.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentanoyl)-2-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 121435573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).