N-(1-cyanopropan-2-yl)-3-methoxy-N,3-dimethylbutanamide

C11H20N2O2 — CID 103020178

IUPACN-(1-cyanopropan-2-yl)-3-methoxy-N,3-dimethylbutanamide
SMILESCOC(C)(C)CC(=O)N(C)C(C)CC#N
InChIInChI=1S/C11H20N2O2/c1-9(6-7-12)13(4)10(14)8-11(2,3)15-5/h9H,6,8H2,1-5H3
InChIKeyVKJPQCLRZPNKBE-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.56
Rot. Bonds5

About N-(1-cyanopropan-2-yl)-3-methoxy-N,3-dimethylbutanamide

N-(1-cyanopropan-2-yl)-3-methoxy-N,3-dimethylbutanamide (PubChem CID 103020178) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-3-methoxy-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-3-methoxy-N,3-dimethylbutanamide
PubChem CID103020178
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-(1-cyanopropan-2-yl)-3-methoxy-N,3-dimethylbutanamide
SMILESCOC(C)(C)CC(=O)N(C)C(C)CC#N
InChIInChI=1S/C11H20N2O2/c1-9(6-7-12)13(4)10(14)8-11(2,3)15-5/h9H,6,8H2,1-5H3
InChIKeyVKJPQCLRZPNKBE-UHFFFAOYSA-N
XLogP1.56
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-cyanopropan-2-yl(methyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 63223026
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methoxy-N,3-dimethylbutanamide
CID 103022109
N-[(2S)-1-cyanopropan-2-yl]-N,3-dimethyl-3-phenylbutanamide
CID 95329458
tert-butyl N-[(2S)-1-cyanopropan-2-yl]-N-methylcarbamate
CID 52908331
N-(1-cyanopropan-2-yl)-N,3,5,5-tetramethylhexanamide
CID 63224542
N-(1-cyanopropan-2-yl)-2-hydroxy-N,2-dimethylpropanamide
CID 103429996
N-(cyanomethyl)-N-ethyl-3-methoxy-3-methylbutanamide
CID 103020145
4-[1-cyanopropan-2-yl(methyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 63223027
N-(1-cyanopropan-2-yl)-N-methyl-2-methylsulfonylacetamide
CID 63297028
4-chloro-N-(1-cyanopropan-2-yl)-N-methylbutanamide
CID 63308494
N-(1-cyanopropan-2-yl)-N-methyldodecanamide
CID 63296980
2-chloro-N-(1-cyanopropan-2-yl)-N-methylpropanamide
CID 63224261

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-3-methoxy-N,3-dimethylbutanamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-3-methoxy-N,3-dimethylbutanamide (CID 103020178) is N-(1-cyanopropan-2-yl)-3-methoxy-N,3-dimethylbutanamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-3-methoxy-N,3-dimethylbutanamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-3-methoxy-N,3-dimethylbutanamide is COC(C)(C)CC(=O)N(C)C(C)CC#N.
What is the InChIKey of N-(1-cyanopropan-2-yl)-3-methoxy-N,3-dimethylbutanamide?
The InChIKey is VKJPQCLRZPNKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(6-7-12)13(4)10(14)8-11(2,3)15-5/h9H,6,8H2,1-5H3.
What are the key properties of N-(1-cyanopropan-2-yl)-3-methoxy-N,3-dimethylbutanamide?
N-(1-cyanopropan-2-yl)-3-methoxy-N,3-dimethylbutanamide has a molecular weight of 212.29 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-3-methoxy-N,3-dimethylbutanamide is sourced from PubChem (CID 103020178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).