N-(2-cyanoethyl)-N-methyl-2-(2-methylpentoxy)acetamide

C12H22N2O2 — CID 103283746

IUPACN-(2-cyanoethyl)-N-methyl-2-(2-methylpentoxy)acetamide
SMILESCCCC(C)COCC(=O)N(C)CCC#N
InChIInChI=1S/C12H22N2O2/c1-4-6-11(2)9-16-10-12(15)14(3)8-5-7-13/h11H,4-6,8-10H2,1-3H3
InChIKeySAJSXBLZGCPUGZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.81
Rot. Bonds8

About N-(2-cyanoethyl)-N-methyl-2-(2-methylpentoxy)acetamide

N-(2-cyanoethyl)-N-methyl-2-(2-methylpentoxy)acetamide (PubChem CID 103283746) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-(2-methylpentoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-(2-methylpentoxy)acetamide
PubChem CID103283746
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-(2-methylpentoxy)acetamide
SMILESCCCC(C)COCC(=O)N(C)CCC#N
InChIInChI=1S/C12H22N2O2/c1-4-6-11(2)9-16-10-12(15)14(3)8-5-7-13/h11H,4-6,8-10H2,1-3H3
InChIKeySAJSXBLZGCPUGZ-UHFFFAOYSA-N
XLogP1.81
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.81
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-methylpropanamide
CID 21036687
5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide
CID 82017217
N-(2-cyanoethyl)-N-methyl-2-(4,4,4-trifluorobutoxy)acetamide
CID 82788775
N-(2-cyanoethyl)-2-(cyclopentylmethoxy)-N-methylacetamide
CID 66324117
N-(2-cyanoethyl)-N-methyl-2-(1-phenylethoxy)acetamide
CID 43289517
5-(2-methylpentoxy)pentanenitrile
CID 103283756
N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide
CID 55219777
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
ethyl 2-[2-cyanoethyl(methyl)amino]pentanoate
CID 79974219
N-(2-cyanoethyl)-N-methyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetamide
CID 43289810
N-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide
CID 112692197

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(2-methylpentoxy)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(2-methylpentoxy)acetamide (CID 103283746) is N-(2-cyanoethyl)-N-methyl-2-(2-methylpentoxy)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-(2-methylpentoxy)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-(2-methylpentoxy)acetamide is CCCC(C)COCC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-(2-methylpentoxy)acetamide?
The InChIKey is SAJSXBLZGCPUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-6-11(2)9-16-10-12(15)14(3)8-5-7-13/h11H,4-6,8-10H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-(2-methylpentoxy)acetamide?
N-(2-cyanoethyl)-N-methyl-2-(2-methylpentoxy)acetamide has a molecular weight of 226.32 g/mol, XLogP of 1.81, 8 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-2-(2-methylpentoxy)acetamide is sourced from PubChem (CID 103283746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).