4-[butyl(2-hydroxyethyl)amino]-2,2-diethyl-4-oxobutanoic acid

C14H27NO4 — CID 54875034

IUPAC4-[butyl(2-hydroxyethyl)amino]-2,2-diethyl-4-oxobutanoic acid
SMILESCCCCN(CCO)C(=O)CC(CC)(CC)C(=O)O
InChIInChI=1S/C14H27NO4/c1-4-7-8-15(9-10-16)12(17)11-14(5-2,6-3)13(18)19/h16H,4-11H2,1-3H3,(H,18,19)
InChIKeyLCYXEDMVCDGXHY-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.89
Rot. Bonds10

About 4-[butyl(2-hydroxyethyl)amino]-2,2-diethyl-4-oxobutanoic acid

4-[butyl(2-hydroxyethyl)amino]-2,2-diethyl-4-oxobutanoic acid (PubChem CID 54875034) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 4-[butyl(2-hydroxyethyl)amino]-2,2-diethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[butyl(2-hydroxyethyl)amino]-2,2-diethyl-4-oxobutanoic acid
PubChem CID54875034
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name4-[butyl(2-hydroxyethyl)amino]-2,2-diethyl-4-oxobutanoic acid
SMILESCCCCN(CCO)C(=O)CC(CC)(CC)C(=O)O
InChIInChI=1S/C14H27NO4/c1-4-7-8-15(9-10-16)12(17)11-14(5-2,6-3)13(18)19/h16H,4-11H2,1-3H3,(H,18,19)
InChIKeyLCYXEDMVCDGXHY-UHFFFAOYSA-N
XLogP1.89
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 64684879
2,2-diethyl-4-[2-hydroxyethyl(propan-2-yl)amino]-4-oxobutanoic acid
CID 43578399
4-[bis(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302623
N-butyl-N-(2-hydroxyethyl)-2-methoxyacetamide
CID 20697100
N-butyl-3,3-dimethyl-N-pentylbutanamide
CID 18736050
2-[(dibutylamino)methyl]-2-ethylbutanoic acid
CID 62270470
3-[hexyl(2-hydroxyethyl)amino]-3-oxopropanoic acid
CID 62230259
2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 62821665
N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide
CID 108509852
2,2-diethyl-4-[ethyl(2-methylpropyl)amino]-4-oxobutanoic acid
CID 43437635
N-butyl-3-(tert-butylamino)-N-(2-hydroxyethyl)propanamide
CID 54870894
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl(propanoyl)amino]propyl]propanamide
CID 20740586

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(2-hydroxyethyl)amino]-2,2-diethyl-4-oxobutanoic acid?
The IUPAC name of 4-[butyl(2-hydroxyethyl)amino]-2,2-diethyl-4-oxobutanoic acid (CID 54875034) is 4-[butyl(2-hydroxyethyl)amino]-2,2-diethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[butyl(2-hydroxyethyl)amino]-2,2-diethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[butyl(2-hydroxyethyl)amino]-2,2-diethyl-4-oxobutanoic acid is CCCCN(CCO)C(=O)CC(CC)(CC)C(=O)O.
What is the InChIKey of 4-[butyl(2-hydroxyethyl)amino]-2,2-diethyl-4-oxobutanoic acid?
The InChIKey is LCYXEDMVCDGXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-4-7-8-15(9-10-16)12(17)11-14(5-2,6-3)13(18)19/h16H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 4-[butyl(2-hydroxyethyl)amino]-2,2-diethyl-4-oxobutanoic acid?
4-[butyl(2-hydroxyethyl)amino]-2,2-diethyl-4-oxobutanoic acid has a molecular weight of 273.37 g/mol, XLogP of 1.89, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(2-hydroxyethyl)amino]-2,2-diethyl-4-oxobutanoic acid is sourced from PubChem (CID 54875034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).