4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide

C11H24N2O3 — CID 81079644

IUPAC4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide
SMILESCCOC(CNC(=O)CC(C)CN)OCC
InChIInChI=1S/C11H24N2O3/c1-4-15-11(16-5-2)8-13-10(14)6-9(3)7-12/h9,11H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyNYBJGXYFXJVNRN-UHFFFAOYSA-N
MW232.32 g/mol
LogP0.49
Rot. Bonds9

About 4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide

4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide (PubChem CID 81079644) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide
PubChem CID81079644
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide
SMILESCCOC(CNC(=O)CC(C)CN)OCC
InChIInChI=1S/C11H24N2O3/c1-4-15-11(16-5-2)8-13-10(14)6-9(3)7-12/h9,11H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyNYBJGXYFXJVNRN-UHFFFAOYSA-N
XLogP0.49
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid
CID 79548215
6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide
CID 79547447
4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
CID 107221231
5-amino-N-(2,2-diethoxyethyl)pentanamide
CID 79547358
N-(2,2-diethoxyethyl)butanamide
CID 79548415
N,N'-bis(2,2-diethoxyethyl)pentanediamide
CID 141334867
2-chloro-N-(2,2-diethoxyethyl)acetamide
CID 12663166
4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide
CID 106175744
3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid
CID 81080321
N-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride
CID 119998014
4-amino-N-(2-ethoxypropyl)-3-methoxybutanamide
CID 103156665
N-(2,2-diethoxyethyl)hexanamide
CID 79547284

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide?
The IUPAC name of 4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide (CID 81079644) is 4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide is CCOC(CNC(=O)CC(C)CN)OCC.
What is the InChIKey of 4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide?
The InChIKey is NYBJGXYFXJVNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-4-15-11(16-5-2)8-13-10(14)6-9(3)7-12/h9,11H,4-8,12H2,1-3H3,(H,13,14).
What are the key properties of 4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide?
4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide has a molecular weight of 232.32 g/mol, XLogP of 0.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide is sourced from PubChem (CID 81079644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).