N-(2-cyanoethyl)-N-methyl-3-(2-methylbutan-2-yloxy)propanamide

C12H22N2O2 — CID 43289728

IUPACN-(2-cyanoethyl)-N-methyl-3-(2-methylbutan-2-yloxy)propanamide
SMILESCCC(C)(C)OCCC(=O)N(C)CCC#N
InChIInChI=1S/C12H22N2O2/c1-5-12(2,3)16-10-7-11(15)14(4)9-6-8-13/h5-7,9-10H2,1-4H3
InChIKeyONAZXVBFOCBQET-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.95
Rot. Bonds7

About N-(2-cyanoethyl)-N-methyl-3-(2-methylbutan-2-yloxy)propanamide

N-(2-cyanoethyl)-N-methyl-3-(2-methylbutan-2-yloxy)propanamide (PubChem CID 43289728) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-3-(2-methylbutan-2-yloxy)propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-3-(2-methylbutan-2-yloxy)propanamide
PubChem CID43289728
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(2-cyanoethyl)-N-methyl-3-(2-methylbutan-2-yloxy)propanamide
SMILESCCC(C)(C)OCCC(=O)N(C)CCC#N
InChIInChI=1S/C12H22N2O2/c1-5-12(2,3)16-10-7-11(15)14(4)9-6-8-13/h5-7,9-10H2,1-4H3
InChIKeyONAZXVBFOCBQET-UHFFFAOYSA-N
XLogP1.95
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
CID 43289311
N-(2-cyanoethyl)-N-methyl-3-prop-2-enoxypropanamide
CID 43289803
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
3-cyano-N-(3,3-dimethylbutyl)-N-methylpropanamide
CID 115174001
N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide
CID 55228110
N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide
CID 43571057
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81056168
N-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide
CID 43243762
N-(2-cyanoethyl)-N-methylcarbamoyl chloride
CID 54246845
N-(2-cyanoethyl)-N-methyl-4-(methylamino)butanamide
CID 60841865
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide
CID 43289053

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-3-(2-methylbutan-2-yloxy)propanamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-3-(2-methylbutan-2-yloxy)propanamide (CID 43289728) is N-(2-cyanoethyl)-N-methyl-3-(2-methylbutan-2-yloxy)propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-3-(2-methylbutan-2-yloxy)propanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-3-(2-methylbutan-2-yloxy)propanamide is CCC(C)(C)OCCC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-3-(2-methylbutan-2-yloxy)propanamide?
The InChIKey is ONAZXVBFOCBQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-12(2,3)16-10-7-11(15)14(4)9-6-8-13/h5-7,9-10H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-3-(2-methylbutan-2-yloxy)propanamide?
N-(2-cyanoethyl)-N-methyl-3-(2-methylbutan-2-yloxy)propanamide has a molecular weight of 226.32 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-3-(2-methylbutan-2-yloxy)propanamide is sourced from PubChem (CID 43289728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).