2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide

C18H33N3O2 — CID 46247132

IUPAC2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)C1(C)CCC(=O)N1CCCN1CCCC1
InChIInChI=1S/C18H33N3O2/c1-15(2)8-10-19-17(23)18(3)9-7-16(22)21(18)14-6-13-20-11-4-5-12-20/h15H,4-14H2,1-3H3,(H,19,23)
InChIKeyMZONBRBIGLFXCI-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.02
Rot. Bonds8

About 2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide

2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide (PubChem CID 46247132) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide
PubChem CID46247132
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)C1(C)CCC(=O)N1CCCN1CCCC1
InChIInChI=1S/C18H33N3O2/c1-15(2)8-10-19-17(23)18(3)9-7-16(22)21(18)14-6-13-20-11-4-5-12-20/h15H,4-14H2,1-3H3,(H,19,23)
InChIKeyMZONBRBIGLFXCI-UHFFFAOYSA-N
XLogP2.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide (CID 46247132) is 2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide is CC(C)CCNC(=O)C1(C)CCC(=O)N1CCCN1CCCC1.
What is the InChIKey of 2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is MZONBRBIGLFXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-15(2)8-10-19-17(23)18(3)9-7-16(22)21(18)14-6-13-20-11-4-5-12-20/h15H,4-14H2,1-3H3,(H,19,23).
What are the key properties of 2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide?
2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 323.48 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46247132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).