N-(2-cyanoethyl)-2-(cyclopentylmethoxy)-N-methylacetamide

C12H20N2O2 — CID 66324117

IUPACN-(2-cyanoethyl)-2-(cyclopentylmethoxy)-N-methylacetamide
SMILESCN(CCC#N)C(=O)COCC1CCCC1
InChIInChI=1S/C12H20N2O2/c1-14(8-4-7-13)12(15)10-16-9-11-5-2-3-6-11/h11H,2-6,8-10H2,1H3
InChIKeyZKWKCRMNHJAEBB-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.57
Rot. Bonds6

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

N-(2-cyanoethyl)-2-(cyclopentylmethoxy)-N-methylacetamide (PubChem CID 66324117) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(cyclopentylmethoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(cyclopentylmethoxy)-N-methylacetamide
PubChem CID66324117
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(2-cyanoethyl)-2-(cyclopentylmethoxy)-N-methylacetamide
SMILESCN(CCC#N)C(=O)COCC1CCCC1
InChIInChI=1S/C12H20N2O2/c1-14(8-4-7-13)12(15)10-16-9-11-5-2-3-6-11/h11H,2-6,8-10H2,1H3
InChIKeyZKWKCRMNHJAEBB-UHFFFAOYSA-N
XLogP1.57
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-2-(cyclopropylmethoxy)-N-methylacetamide
CID 43289622
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
2-cyano-N-(2-cyclopentylethyl)-N-methylacetamide
CID 115173391
N-(2-cyanoethyl)-3-cyclopentylsulfinyl-N-methylpropanamide
CID 64690317
N-(3-amino-4-methylpentyl)-2-(cyclopropylmethoxy)-N-methylacetamide
CID 119661203
N-(2-cyanoethyl)-N-methyl-2-(2-methylpentoxy)acetamide
CID 103283746
N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide
CID 43541122
N-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301635
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(cyclopentylmethoxy)-N-methylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(cyclopentylmethoxy)-N-methylacetamide (CID 66324117) is N-(2-cyanoethyl)-2-(cyclopentylmethoxy)-N-methylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(cyclopentylmethoxy)-N-methylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(cyclopentylmethoxy)-N-methylacetamide is CN(CCC#N)C(=O)COCC1CCCC1.
What is the InChIKey of N-(2-cyanoethyl)-2-(cyclopentylmethoxy)-N-methylacetamide?
The InChIKey is ZKWKCRMNHJAEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-14(8-4-7-13)12(15)10-16-9-11-5-2-3-6-11/h11H,2-6,8-10H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-(cyclopentylmethoxy)-N-methylacetamide?
N-(2-cyanoethyl)-2-(cyclopentylmethoxy)-N-methylacetamide has a molecular weight of 224.30 g/mol, XLogP of 1.57, 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-(cyclopentylmethoxy)-N-methylacetamide is sourced from PubChem (CID 66324117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).