N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C14H26N2O2 — CID 113232057

IUPACN-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)CNC(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-5-11(6-2)8-15-14(18)12-7-13(17)16(9-12)10(3)4/h10-12H,5-9H2,1-4H3,(H,15,18)
InChIKeySHGYBGCTORKJOU-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.80
Rot. Bonds6

About N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 113232057) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID113232057
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)CNC(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-5-11(6-2)8-15-14(18)12-7-13(17)16(9-12)10(3)4/h10-12H,5-9H2,1-4H3,(H,15,18)
InChIKeySHGYBGCTORKJOU-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 65220584
N-(2-hydroxy-4-methylpentyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 103771609
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 43170550
N-(2-hydroxy-2-phenylethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 43427845
N-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108538490
N-(5-hydroxypentyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 107318400
3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid
CID 81064929
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108539720
N-(2-ethylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 115613116
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 43355333
N-(2-adamantyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 78859348
3-[[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid
CID 81063469

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 113232057) is N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CCC(CC)CNC(=O)C1CC(=O)N(C(C)C)C1.
What is the InChIKey of N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is SHGYBGCTORKJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-11(6-2)8-15-14(18)12-7-13(17)16(9-12)10(3)4/h10-12H,5-9H2,1-4H3,(H,15,18).
What are the key properties of N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113232057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).