N-(2-cyanoethyl)-2-(cyclopropylmethoxy)-N-methylacetamide

C10H16N2O2 — CID 43289622

IUPACN-(2-cyanoethyl)-2-(cyclopropylmethoxy)-N-methylacetamide
SMILESCN(CCC#N)C(=O)COCC1CC1
InChIInChI=1S/C10H16N2O2/c1-12(6-2-5-11)10(13)8-14-7-9-3-4-9/h9H,2-4,6-8H2,1H3
InChIKeyGRWQUPKFDCBHBU-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.79
Rot. Bonds6

About N-(2-cyanoethyl)-2-(cyclopropylmethoxy)-N-methylacetamide

N-(2-cyanoethyl)-2-(cyclopropylmethoxy)-N-methylacetamide (PubChem CID 43289622) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(cyclopropylmethoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(cyclopropylmethoxy)-N-methylacetamide
PubChem CID43289622
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-(2-cyanoethyl)-2-(cyclopropylmethoxy)-N-methylacetamide
SMILESCN(CCC#N)C(=O)COCC1CC1
InChIInChI=1S/C10H16N2O2/c1-12(6-2-5-11)10(13)8-14-7-9-3-4-9/h9H,2-4,6-8H2,1H3
InChIKeyGRWQUPKFDCBHBU-UHFFFAOYSA-N
XLogP0.79
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-2-(cyclopentylmethoxy)-N-methylacetamide
CID 66324117
N-(2-cyanoethyl)-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
CID 43289554
N-(2-cyanoethyl)-N-methyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetamide
CID 43289810
N-(2-cyanoethyl)-N-methyl-2-(4,4,4-trifluorobutoxy)acetamide
CID 82788775
N-(3-amino-4-methylpentyl)-2-(cyclopropylmethoxy)-N-methylacetamide
CID 119661203
N-(3-amino-4-methylpentyl)-2-(cyclopropylmethoxy)-N-methylacetamide;hydrochloride
CID 119661202
N-(2-cyanoethyl)-N-methyl-2-(2-methylpentoxy)acetamide
CID 103283746
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide
CID 54996850
N-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301635
N-(2-cyanoethyl)-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79717113

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(cyclopropylmethoxy)-N-methylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(cyclopropylmethoxy)-N-methylacetamide (CID 43289622) is N-(2-cyanoethyl)-2-(cyclopropylmethoxy)-N-methylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(cyclopropylmethoxy)-N-methylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(cyclopropylmethoxy)-N-methylacetamide is CN(CCC#N)C(=O)COCC1CC1.
What is the InChIKey of N-(2-cyanoethyl)-2-(cyclopropylmethoxy)-N-methylacetamide?
The InChIKey is GRWQUPKFDCBHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-12(6-2-5-11)10(13)8-14-7-9-3-4-9/h9H,2-4,6-8H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-(cyclopropylmethoxy)-N-methylacetamide?
N-(2-cyanoethyl)-2-(cyclopropylmethoxy)-N-methylacetamide has a molecular weight of 196.25 g/mol, XLogP of 0.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(cyclopropylmethoxy)-N-methylacetamide is sourced from PubChem (CID 43289622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).