N,3-dimethoxy-3-methylbutanamide

C7H15NO3 — CID 103021007

IUPACN,3-dimethoxy-3-methylbutanamide
SMILESCONC(=O)CC(C)(C)OC
InChIInChI=1S/C7H15NO3/c1-7(2,10-3)5-6(9)8-11-4/h5H2,1-4H3,(H,8,9)
InChIKeyZVSVLICGRLEFKR-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.48
Rot. Bonds4

About N,3-dimethoxy-3-methylbutanamide

N,3-dimethoxy-3-methylbutanamide (PubChem CID 103021007) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is N,3-dimethoxy-3-methylbutanamide.

Molecular Properties

Compound NameN,3-dimethoxy-3-methylbutanamide
PubChem CID103021007
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC NameN,3-dimethoxy-3-methylbutanamide
SMILESCONC(=O)CC(C)(C)OC
InChIInChI=1S/C7H15NO3/c1-7(2,10-3)5-6(9)8-11-4/h5H2,1-4H3,(H,8,9)
InChIKeyZVSVLICGRLEFKR-UHFFFAOYSA-N
XLogP0.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-methoxy-3-methylbutanamide
CID 103021631
3-methoxy-3-methyl-N-propan-2-ylbutanamide
CID 103020990
N-(cyanomethyl)-3-methoxy-3-methylbutanamide
CID 103020097
methyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate
CID 103021727
N-(6-aminohexyl)-3-methoxy-3-methylbutanamide
CID 107843909
N-(2-amino-3-ethylpentyl)-3-methoxy-3-methylbutanamide
CID 106286145
N-(4-aminophenyl)-3-methoxy-3-methylbutanamide
CID 103017558
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxy-3-methylbutanamide
CID 103020321
N-(2-amino-4,4-dimethylpentyl)-3-methoxy-3-methylbutanamide
CID 107158484
(2S)-2-[(3-methoxy-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103018443
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-methoxy-3-methylbutanamide
CID 103022042
N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide
CID 103021223

Frequently Asked Questions

What is the IUPAC name of N,3-dimethoxy-3-methylbutanamide?
The IUPAC name of N,3-dimethoxy-3-methylbutanamide (CID 103021007) is N,3-dimethoxy-3-methylbutanamide.
What is the SMILES notation for N,3-dimethoxy-3-methylbutanamide?
The canonical SMILES for N,3-dimethoxy-3-methylbutanamide is CONC(=O)CC(C)(C)OC.
What is the InChIKey of N,3-dimethoxy-3-methylbutanamide?
The InChIKey is ZVSVLICGRLEFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-7(2,10-3)5-6(9)8-11-4/h5H2,1-4H3,(H,8,9).
What are the key properties of N,3-dimethoxy-3-methylbutanamide?
N,3-dimethoxy-3-methylbutanamide has a molecular weight of 161.20 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethoxy-3-methylbutanamide is sourced from PubChem (CID 103021007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).