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

C15H28N2O2 — CID 4625750

IUPACN,1-bis(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CC(=O)N(CCC(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-11(2)5-7-16-15(19)13-9-14(18)17(10-13)8-6-12(3)4/h11-13H,5-10H2,1-4H3,(H,16,19)
InChIKeyKWSVPJYBQJRQKI-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.04
Rot. Bonds7

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

N,1-bis(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 4625750) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N,1-bis(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,1-bis(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID4625750
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN,1-bis(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CC(=O)N(CCC(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-11(2)5-7-16-15(19)13-9-14(18)17(10-13)8-6-12(3)4/h11-13H,5-10H2,1-4H3,(H,16,19)
InChIKeyKWSVPJYBQJRQKI-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,1-bis(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N,1-bis(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (CID 4625750) is N,1-bis(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N,1-bis(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N,1-bis(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CCNC(=O)C1CC(=O)N(CCC(C)C)C1.
What is the InChIKey of N,1-bis(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KWSVPJYBQJRQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(2)5-7-16-15(19)13-9-14(18)17(10-13)8-6-12(3)4/h11-13H,5-10H2,1-4H3,(H,16,19).
What are the key properties of N,1-bis(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
N,1-bis(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4625750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).