N-(2-cyanoethyl)-N-methyl-2-(1-phenylethoxy)acetamide

C14H18N2O2 — CID 43289517

IUPACN-(2-cyanoethyl)-N-methyl-2-(1-phenylethoxy)acetamide
SMILESCC(OCC(=O)N(C)CCC#N)c1ccccc1
InChIInChI=1S/C14H18N2O2/c1-12(13-7-4-3-5-8-13)18-11-14(17)16(2)10-6-9-15/h3-5,7-8,12H,6,10-11H2,1-2H3
InChIKeyUGIVORWXYLBHHP-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.14
Rot. Bonds6

About N-(2-cyanoethyl)-N-methyl-2-(1-phenylethoxy)acetamide

N-(2-cyanoethyl)-N-methyl-2-(1-phenylethoxy)acetamide (PubChem CID 43289517) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-(1-phenylethoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-(1-phenylethoxy)acetamide
PubChem CID43289517
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-(1-phenylethoxy)acetamide
SMILESCC(OCC(=O)N(C)CCC#N)c1ccccc1
InChIInChI=1S/C14H18N2O2/c1-12(13-7-4-3-5-8-13)18-11-14(17)16(2)10-6-9-15/h3-5,7-8,12H,6,10-11H2,1-2H3
InChIKeyUGIVORWXYLBHHP-UHFFFAOYSA-N
XLogP2.14
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanoethyl)-N-methyl-2-(1-phenylethoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 16528025
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-acetamido-3-phenylprop-2-enoate
CID 7229331
5-(1-phenylethoxy)pentanenitrile
CID 55136374
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-methylacetamide
CID 7756834
N-(2-cyanoethyl)-2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-methylacetamide
CID 95308677
2-(2-acetamidophenoxy)-N-(2-cyanoethyl)-N-methylacetamide
CID 43384578
N-(2-cyanoethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]-N-methylacetamide
CID 94157322
N-(2-cyanoethyl)-N-methyl-2-(2-methylpentoxy)acetamide
CID 103283746
3-[2-[2-cyanoethyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380366
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60965369
2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide
CID 60645400
N-(2-cyanoethyl)-N-methyl-2-(3-methylsulfonylphenoxy)acetamide
CID 43803923

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(1-phenylethoxy)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(1-phenylethoxy)acetamide (CID 43289517) is N-(2-cyanoethyl)-N-methyl-2-(1-phenylethoxy)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-(1-phenylethoxy)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-(1-phenylethoxy)acetamide is CC(OCC(=O)N(C)CCC#N)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-(1-phenylethoxy)acetamide?
The InChIKey is UGIVORWXYLBHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-12(13-7-4-3-5-8-13)18-11-14(17)16(2)10-6-9-15/h3-5,7-8,12H,6,10-11H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-(1-phenylethoxy)acetamide?
N-(2-cyanoethyl)-N-methyl-2-(1-phenylethoxy)acetamide has a molecular weight of 246.31 g/mol, XLogP of 2.14, 6 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-(1-phenylethoxy)acetamide is sourced from PubChem (CID 43289517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).