N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C14H26N2O2 — CID 47025507

IUPACN-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CC(=O)N(CC(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-10(2)5-6-15-14(18)12-7-13(17)16(9-12)8-11(3)4/h10-12H,5-9H2,1-4H3,(H,15,18)
InChIKeyQBDIELPPUOQTCB-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.65
Rot. Bonds6

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

N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 47025507) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID47025507
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CC(=O)N(CC(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-10(2)5-6-15-14(18)12-7-13(17)16(9-12)8-11(3)4/h10-12H,5-9H2,1-4H3,(H,15,18)
InChIKeyQBDIELPPUOQTCB-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 47025507) is N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CCNC(=O)C1CC(=O)N(CC(C)C)C1.
What is the InChIKey of N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QBDIELPPUOQTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(2)5-6-15-14(18)12-7-13(17)16(9-12)8-11(3)4/h10-12H,5-9H2,1-4H3,(H,15,18).
What are the key properties of N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 47025507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).