2-ethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanamide

C13H24N2O3 — CID 112991314

IUPAC2-ethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanamide
SMILESCCC(CC)C(=O)NCC(=O)NCC1CCCO1
InChIInChI=1S/C13H24N2O3/c1-3-10(4-2)13(17)15-9-12(16)14-8-11-6-5-7-18-11/h10-11H,3-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyWKNOBVQLGGLSNE-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.83
Rot. Bonds7

About 2-ethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanamide

2-ethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanamide (PubChem CID 112991314) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-ethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanamide
PubChem CID112991314
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-ethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanamide
SMILESCCC(CC)C(=O)NCC(=O)NCC1CCCO1
InChIInChI=1S/C13H24N2O3/c1-3-10(4-2)13(17)15-9-12(16)14-8-11-6-5-7-18-11/h10-11H,3-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyWKNOBVQLGGLSNE-UHFFFAOYSA-N
XLogP0.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 110731236
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
(2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 94882952
2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54815697
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797
2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]pentanoic acid
CID 43631760
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
N-(oxolan-2-ylmethyl)-2-(propylsulfonylamino)acetamide
CID 112991356
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 112991346
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
oxalic acid;N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 175652932
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide
CID 94796972

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanamide (CID 112991314) is 2-ethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanamide is CCC(CC)C(=O)NCC(=O)NCC1CCCO1.
What is the InChIKey of 2-ethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanamide?
The InChIKey is WKNOBVQLGGLSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-10(4-2)13(17)15-9-12(16)14-8-11-6-5-7-18-11/h10-11H,3-9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 2-ethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanamide?
2-ethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanamide has a molecular weight of 256.35 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanamide is sourced from PubChem (CID 112991314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).