N,N-diethyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C13H24N2O2 — CID 51077779

IUPACN,N-diethyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CC(=O)N(CC(C)C)C1
InChIInChI=1S/C13H24N2O2/c1-5-14(6-2)13(17)11-7-12(16)15(9-11)8-10(3)4/h10-11H,5-9H2,1-4H3
InChIKeyCOWMTRIVCJKMCB-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.36
Rot. Bonds5

About N,N-diethyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

N,N-diethyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 51077779) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N,N-diethyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID51077779
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN,N-diethyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CC(=O)N(CC(C)C)C1
InChIInChI=1S/C13H24N2O2/c1-5-14(6-2)13(17)11-7-12(16)15(9-11)8-10(3)4/h10-11H,5-9H2,1-4H3
InChIKeyCOWMTRIVCJKMCB-UHFFFAOYSA-N
XLogP1.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 51077779) is N,N-diethyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CCN(CC)C(=O)C1CC(=O)N(CC(C)C)C1.
What is the InChIKey of N,N-diethyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is COWMTRIVCJKMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-14(6-2)13(17)11-7-12(16)15(9-11)8-10(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of N,N-diethyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
N,N-diethyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51077779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).