N-ethyl-N'-(2-oxoethyl)pentanediamide

C9H16N2O3 — CID 138599289

IUPACN-ethyl-N'-(2-oxoethyl)pentanediamide
SMILESCCNC(=O)CCCC(=O)NCC=O
InChIInChI=1S/C9H16N2O3/c1-2-10-8(13)4-3-5-9(14)11-6-7-12/h7H,2-6H2,1H3,(H,10,13)(H,11,14)
InChIKeyAFKASHUDMZIDPY-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.39
Rot. Bonds7

About N-ethyl-N'-(2-oxoethyl)pentanediamide

N-ethyl-N'-(2-oxoethyl)pentanediamide (PubChem CID 138599289) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-ethyl-N'-(2-oxoethyl)pentanediamide.

Molecular Properties

Compound NameN-ethyl-N'-(2-oxoethyl)pentanediamide
PubChem CID138599289
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC NameN-ethyl-N'-(2-oxoethyl)pentanediamide
SMILESCCNC(=O)CCCC(=O)NCC=O
InChIInChI=1S/C9H16N2O3/c1-2-10-8(13)4-3-5-9(14)11-6-7-12/h7H,2-6H2,1H3,(H,10,13)(H,11,14)
InChIKeyAFKASHUDMZIDPY-UHFFFAOYSA-N
XLogP-0.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-oxopentanamide
CID 54062498
N,N'-diethylnonanediamide
CID 89048639
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
N'-ethylnonanediamide
CID 18377762
20-(ethylamino)-20-oxoicosanoic acid
CID 59533791
N'-ethyldodecanediamide
CID 175230920
4-amino-N-(2-oxoethyl)pentanamide
CID 143686044
4-dimethylphosphanyl-N-ethylbutanamide
CID 156509644
N-ethyl-5,5-dimethylhexanamide
CID 121264886
N-ethyl-N'-(3-oxobutan-2-yl)pentanediamide
CID 155261151
tert-butyl 5-(ethylamino)-5-oxopentanoate
CID 145414661

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-oxoethyl)pentanediamide?
The IUPAC name of N-ethyl-N'-(2-oxoethyl)pentanediamide (CID 138599289) is N-ethyl-N'-(2-oxoethyl)pentanediamide.
What is the SMILES notation for N-ethyl-N'-(2-oxoethyl)pentanediamide?
The canonical SMILES for N-ethyl-N'-(2-oxoethyl)pentanediamide is CCNC(=O)CCCC(=O)NCC=O.
What is the InChIKey of N-ethyl-N'-(2-oxoethyl)pentanediamide?
The InChIKey is AFKASHUDMZIDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-10-8(13)4-3-5-9(14)11-6-7-12/h7H,2-6H2,1H3,(H,10,13)(H,11,14).
What are the key properties of N-ethyl-N'-(2-oxoethyl)pentanediamide?
N-ethyl-N'-(2-oxoethyl)pentanediamide has a molecular weight of 200.24 g/mol, XLogP of -0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-oxoethyl)pentanediamide is sourced from PubChem (CID 138599289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).