N-(1-cyanoethyl)-3-methoxy-3-methylbutanamide

C9H16N2O2 — CID 103020102

IUPACN-(1-cyanoethyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NC(C)C#N
InChIInChI=1S/C9H16N2O2/c1-7(6-10)11-8(12)5-9(2,3)13-4/h7H,5H2,1-4H3,(H,11,12)
InChIKeyAOJGYZVAXUGWNL-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.83
Rot. Bonds4

About N-(1-cyanoethyl)-3-methoxy-3-methylbutanamide

N-(1-cyanoethyl)-3-methoxy-3-methylbutanamide (PubChem CID 103020102) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(1-cyanoethyl)-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-3-methoxy-3-methylbutanamide
PubChem CID103020102
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(1-cyanoethyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NC(C)C#N
InChIInChI=1S/C9H16N2O2/c1-7(6-10)11-8(12)5-9(2,3)13-4/h7H,5H2,1-4H3,(H,11,12)
InChIKeyAOJGYZVAXUGWNL-UHFFFAOYSA-N
XLogP0.83
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-3-methyl-N-propan-2-ylbutanamide
CID 103020990
N-(cyanomethyl)-3-methoxy-3-methylbutanamide
CID 103020097
(2S)-2-[(3-methoxy-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103018443
N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide
CID 103021223
methyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate
CID 103021727
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-methoxy-3-methylbutanamide
CID 103022042
methyl N-[(1S)-1-cyanoethyl]carbamate
CID 130636664
N-(1-cyanoethyl)butanamide
CID 61120062
2-[(2-methoxy-2-methylpropyl)amino]propanenitrile
CID 104760516
N,3-dimethoxy-3-methylbutanamide
CID 103021007
N-[(1R)-1-cyanoethyl]-2-(dimethylamino)acetamide
CID 131089479
(2R)-4-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]butanoic acid
CID 107823761

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(1-cyanoethyl)-3-methoxy-3-methylbutanamide (CID 103020102) is N-(1-cyanoethyl)-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(1-cyanoethyl)-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(1-cyanoethyl)-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)NC(C)C#N.
What is the InChIKey of N-(1-cyanoethyl)-3-methoxy-3-methylbutanamide?
The InChIKey is AOJGYZVAXUGWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(6-10)11-8(12)5-9(2,3)13-4/h7H,5H2,1-4H3,(H,11,12).
What are the key properties of N-(1-cyanoethyl)-3-methoxy-3-methylbutanamide?
N-(1-cyanoethyl)-3-methoxy-3-methylbutanamide has a molecular weight of 184.24 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103020102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).