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

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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).