4,4-diethoxy-2-methylbutanamide

C9H19NO3 — CID 90312844

IUPAC4,4-diethoxy-2-methylbutanamide
SMILESCCOC(CC(C)C(N)=O)OCC
InChIInChI=1S/C9H19NO3/c1-4-12-8(13-5-2)6-7(3)9(10)11/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeySUPAIMHAHNJXDC-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.90
Rot. Bonds7

About 4,4-diethoxy-2-methylbutanamide

4,4-diethoxy-2-methylbutanamide (PubChem CID 90312844) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 4,4-diethoxy-2-methylbutanamide.

Molecular Properties

Compound Name4,4-diethoxy-2-methylbutanamide
PubChem CID90312844
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name4,4-diethoxy-2-methylbutanamide
SMILESCCOC(CC(C)C(N)=O)OCC
InChIInChI=1S/C9H19NO3/c1-4-12-8(13-5-2)6-7(3)9(10)11/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeySUPAIMHAHNJXDC-UHFFFAOYSA-N
XLogP0.90
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetamide;1-ethoxyethanol
CID 175470032
ethyl (2S)-4,4-diethoxy-2-fluorobutanoate
CID 95970314
2-(3,3-diethoxypropylamino)propanamide
CID 81095052
1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide
CID 89449425
methane;2-methylbutanamide
CID 158835184
2-ethoxy-2-methoxyacetamide
CID 54503538
5-amino-2-ethyl-4-methyl-5-oxopentanoic acid
CID 58612932
ethyl (2R)-2-cyano-4,4-diethoxybutanoate
CID 40640298
3-(2,2-diethoxyethylamino)-2-hydroxypropanamide
CID 106174370
3-bromo-1,1-diethoxybutane
CID 12682404
2,4-dibromo-4-ethoxybutanamide
CID 91329189
2,5-diamino-4-methyl-5-oxopentanoic acid
CID 19418247

Frequently Asked Questions

What is the IUPAC name of 4,4-diethoxy-2-methylbutanamide?
The IUPAC name of 4,4-diethoxy-2-methylbutanamide (CID 90312844) is 4,4-diethoxy-2-methylbutanamide.
What is the SMILES notation for 4,4-diethoxy-2-methylbutanamide?
The canonical SMILES for 4,4-diethoxy-2-methylbutanamide is CCOC(CC(C)C(N)=O)OCC.
What is the InChIKey of 4,4-diethoxy-2-methylbutanamide?
The InChIKey is SUPAIMHAHNJXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-12-8(13-5-2)6-7(3)9(10)11/h7-8H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of 4,4-diethoxy-2-methylbutanamide?
4,4-diethoxy-2-methylbutanamide has a molecular weight of 189.25 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethoxy-2-methylbutanamide is sourced from PubChem (CID 90312844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).