N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)hexanamide

C14H26N2O2 — CID 142102281

IUPACN-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)hexanamide
SMILESCCCCCC(=O)N(CC)CC(=O)N1CCCC1
InChIInChI=1S/C14H26N2O2/c1-3-5-6-9-13(17)15(4-2)12-14(18)16-10-7-8-11-16/h3-12H2,1-2H3
InChIKeyHTZQYBDIBICCDA-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.04
Rot. Bonds7

About N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)hexanamide

N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)hexanamide (PubChem CID 142102281) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)hexanamide.

Molecular Properties

Compound NameN-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)hexanamide
PubChem CID142102281
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)hexanamide
SMILESCCCCCC(=O)N(CC)CC(=O)N1CCCC1
InChIInChI=1S/C14H26N2O2/c1-3-5-6-9-13(17)15(4-2)12-14(18)16-10-7-8-11-16/h3-12H2,1-2H3
InChIKeyHTZQYBDIBICCDA-UHFFFAOYSA-N
XLogP2.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pentylacetamide
CID 113166654
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
ethyl 2-[ethyl(hexanoyl)amino]acetate
CID 61022826
2-[ethyl(pentadecanoyl)amino]acetic acid
CID 139609701
2-[ethyl(hexadecanoyl)amino]acetic acid
CID 86170642
1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone
CID 86910796
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089
6-(azepan-1-yl)-6-oxohexanamide;dodecane
CID 174982677
1-piperidin-1-ylnonane-1,3-dione
CID 134893639
N,N-bis(hydroxymethyl)tetradecanamide
CID 54140383
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
(7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one
CID 91705104

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)hexanamide?
The IUPAC name of N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)hexanamide (CID 142102281) is N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)hexanamide.
What is the SMILES notation for N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)hexanamide?
The canonical SMILES for N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)hexanamide is CCCCCC(=O)N(CC)CC(=O)N1CCCC1.
What is the InChIKey of N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)hexanamide?
The InChIKey is HTZQYBDIBICCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-5-6-9-13(17)15(4-2)12-14(18)16-10-7-8-11-16/h3-12H2,1-2H3.
What are the key properties of N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)hexanamide?
N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)hexanamide has a molecular weight of 254.37 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)hexanamide is sourced from PubChem (CID 142102281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).