3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide

C11H24N2O2 — CID 64684879

IUPAC3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide
SMILESCCCCN(CCO)C(=O)CC(C)(C)N
InChIInChI=1S/C11H24N2O2/c1-4-5-6-13(7-8-14)10(15)9-11(2,3)12/h14H,4-9,12H2,1-3H3
InChIKeyOJEKKZQIDWPVMO-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.73
Rot. Bonds7

About 3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide

3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide (PubChem CID 64684879) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide
PubChem CID64684879
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide
SMILESCCCCN(CCO)C(=O)CC(C)(C)N
InChIInChI=1S/C11H24N2O2/c1-4-5-6-13(7-8-14)10(15)9-11(2,3)12/h14H,4-9,12H2,1-3H3
InChIKeyOJEKKZQIDWPVMO-UHFFFAOYSA-N
XLogP0.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[butyl(2-hydroxyethyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 54875034
N-butyl-3,3-dimethyl-N-pentylbutanamide
CID 18736050
N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide
CID 58848995
6-amino-N-butyl-N-(2-hydroxyethyl)-4,4-dimethylhexanamide
CID 65290826
N-butyl-3-(tert-butylamino)-N-(2-hydroxyethyl)propanamide
CID 54870894
N-butyl-N-(2-hydroxyethyl)-2-methoxyacetamide
CID 20697100
N-(5-aminopentyl)-N-butyl-3,3-dimethylbutanamide
CID 58848482
5-amino-N-butyl-N-(2-hydroxyethyl)hexanamide
CID 82851620
N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide
CID 108509852
N-(2-hydroxyethyl)-2,2-dimethyl-N-pentylpropanamide
CID 59440869
3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide
CID 60962564
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl(propanoyl)amino]propyl]propanamide
CID 20740586

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide (CID 64684879) is 3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide is CCCCN(CCO)C(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide?
The InChIKey is OJEKKZQIDWPVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-5-6-13(7-8-14)10(15)9-11(2,3)12/h14H,4-9,12H2,1-3H3.
What are the key properties of 3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide?
3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide has a molecular weight of 216.32 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide is sourced from PubChem (CID 64684879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).