N-(2-cyanoethyl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide

C11H18N2O3 — CID 43289554

IUPACN-(2-cyanoethyl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
SMILESCN(CCC#N)C(=O)COCC1CCCO1
InChIInChI=1S/C11H18N2O3/c1-13(6-3-5-12)11(14)9-15-8-10-4-2-7-16-10/h10H,2-4,6-9H2,1H3
InChIKeyZHWULXIAXJCSTL-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.55
Rot. Bonds6

About N-(2-cyanoethyl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide

N-(2-cyanoethyl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide (PubChem CID 43289554) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
PubChem CID43289554
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
SMILESCN(CCC#N)C(=O)COCC1CCCO1
InChIInChI=1S/C11H18N2O3/c1-13(6-3-5-12)11(14)9-15-8-10-4-2-7-16-10/h10H,2-4,6-9H2,1H3
InChIKeyZHWULXIAXJCSTL-UHFFFAOYSA-N
XLogP0.55
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-2-(cyclopentylmethoxy)-N-methylacetamide
CID 66324117
N-(2-cyanoethyl)-2-(cyclopropylmethoxy)-N-methylacetamide
CID 43289622
N-(3-aminopropyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide
CID 43254240
N-[(3-cyanophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
CID 86868338
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
CID 126833304
N-methyl-2-[[(2R)-oxan-2-yl]methoxy]-N-(2-pyridin-4-ylethyl)acetamide
CID 99933824
ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137
N-(2-cyanoethyl)-2-(oxolan-2-yl)-N-propan-2-ylacetamide
CID 62491240
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(oxan-2-ylmethoxy)acetamide
CID 91775564
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 46787811
N-(2-cyanoethyl)-N-methyl-2-(4,4,4-trifluorobutoxy)acetamide
CID 82788775

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide (CID 43289554) is N-(2-cyanoethyl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide is CN(CCC#N)C(=O)COCC1CCCO1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide?
The InChIKey is ZHWULXIAXJCSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-13(6-3-5-12)11(14)9-15-8-10-4-2-7-16-10/h10H,2-4,6-9H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide?
N-(2-cyanoethyl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide has a molecular weight of 226.28 g/mol, XLogP of 0.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide is sourced from PubChem (CID 43289554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).