2-methyl-N,1-bis(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide

C16H30N2O2 — CID 46247100

IUPAC2-methyl-N,1-bis(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)C1(C)CCC(=O)N1CCC(C)C
InChIInChI=1S/C16H30N2O2/c1-12(2)7-10-17-15(20)16(5)9-6-14(19)18(16)11-8-13(3)4/h12-13H,6-11H2,1-5H3,(H,17,20)
InChIKeyHKFODBVNSFZXPR-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.58
Rot. Bonds7

About 2-methyl-N,1-bis(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide

2-methyl-N,1-bis(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 46247100) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-methyl-N,1-bis(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N,1-bis(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID46247100
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-methyl-N,1-bis(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)C1(C)CCC(=O)N1CCC(C)C
InChIInChI=1S/C16H30N2O2/c1-12(2)7-10-17-15(20)16(5)9-6-14(19)18(16)11-8-13(3)4/h12-13H,6-11H2,1-5H3,(H,17,20)
InChIKeyHKFODBVNSFZXPR-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,1-bis(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 2-methyl-N,1-bis(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide (CID 46247100) is 2-methyl-N,1-bis(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N,1-bis(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 2-methyl-N,1-bis(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide is CC(C)CCNC(=O)C1(C)CCC(=O)N1CCC(C)C.
What is the InChIKey of 2-methyl-N,1-bis(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is HKFODBVNSFZXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)7-10-17-15(20)16(5)9-6-14(19)18(16)11-8-13(3)4/h12-13H,6-11H2,1-5H3,(H,17,20).
What are the key properties of 2-methyl-N,1-bis(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
2-methyl-N,1-bis(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,1-bis(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 46247100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).