2-methyl-N-(3-methylbutyl)-5-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide

C18H31N3O3 — CID 46247126

IUPAC2-methyl-N-(3-methylbutyl)-5-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)C1(C)CCC(=O)N1CCCN1CCCC1=O
InChIInChI=1S/C18H31N3O3/c1-14(2)8-10-19-17(24)18(3)9-7-16(23)21(18)13-5-12-20-11-4-6-15(20)22/h14H,4-13H2,1-3H3,(H,19,24)
InChIKeyWOLVCBYBOGJTQG-UHFFFAOYSA-N
MW337.46 g/mol
LogP1.54
Rot. Bonds8

About 2-methyl-N-(3-methylbutyl)-5-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide

2-methyl-N-(3-methylbutyl)-5-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide (PubChem CID 46247126) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutyl)-5-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutyl)-5-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide
PubChem CID46247126
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name2-methyl-N-(3-methylbutyl)-5-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)C1(C)CCC(=O)N1CCCN1CCCC1=O
InChIInChI=1S/C18H31N3O3/c1-14(2)8-10-19-17(24)18(3)9-7-16(23)21(18)13-5-12-20-11-4-6-15(20)22/h14H,4-13H2,1-3H3,(H,19,24)
InChIKeyWOLVCBYBOGJTQG-UHFFFAOYSA-N
XLogP1.54
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.54
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-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-methyl-N-(3-methylbutyl)-5-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide (CID 46247126) is 2-methyl-N-(3-methylbutyl)-5-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methylbutyl)-5-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methylbutyl)-5-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide is CC(C)CCNC(=O)C1(C)CCC(=O)N1CCCN1CCCC1=O.
What is the InChIKey of 2-methyl-N-(3-methylbutyl)-5-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide?
The InChIKey is WOLVCBYBOGJTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-14(2)8-10-19-17(24)18(3)9-7-16(23)21(18)13-5-12-20-11-4-6-15(20)22/h14H,4-13H2,1-3H3,(H,19,24).
What are the key properties of 2-methyl-N-(3-methylbutyl)-5-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide?
2-methyl-N-(3-methylbutyl)-5-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 1.54, 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-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46247126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).