N-butyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

C14H26N2O2 — CID 3245780

IUPACN-butyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(=O)N(CCC(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-4-5-7-15-14(18)12-9-13(17)16(10-12)8-6-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,18)
InChIKeyVSFASJOGZYXQJS-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.80
Rot. Bonds7

About N-butyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

N-butyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3245780) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-butyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3245780
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-butyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(=O)N(CCC(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-4-5-7-15-14(18)12-9-13(17)16(10-12)8-6-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,18)
InChIKeyVSFASJOGZYXQJS-UHFFFAOYSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-(2-Oxo-1-pyrrolidinyl)propyl)acetamide
CID 129397
1-Methyl-5-oxopyrrolidine-3-carboxamide
CID 541476
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 5016732
5-Oxopyrrolidine-3-carboxamide
CID 3528514
4-(Aminomethyl)pyrrolidin-2-one
CID 19757933
N-Methylpyrrolidine-3-carboxamide
CID 23090433
1-((Pyrrolidin-3-yl)methyl)pyrrolidin-2-one
CID 62370906
1-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3245728
1-sec-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3239387
N-isopropyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3243347
N-tert-butyl-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 53501666

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (CID 3245780) is N-butyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is CCCCNC(=O)C1CC(=O)N(CCC(C)C)C1.
What is the InChIKey of N-butyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VSFASJOGZYXQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-5-7-15-14(18)12-9-13(17)16(10-12)8-6-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,18).
What are the key properties of N-butyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
N-butyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3245780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).