N-(2-cyanoethyl)-2-(2-methoxyphenoxy)-N-(2-phenylethyl)acetamide

C20H22N2O3 — CID 54790706

IUPACN-(2-cyanoethyl)-2-(2-methoxyphenoxy)-N-(2-phenylethyl)acetamide
SMILESCOc1ccccc1OCC(=O)N(CCC#N)CCc1ccccc1
InChIInChI=1S/C20H22N2O3/c1-24-18-10-5-6-11-19(18)25-16-20(23)22(14-7-13-21)15-12-17-8-3-2-4-9-17/h2-6,8-11H,7,12,14-16H2,1H3
InChIKeyYVYGVQRNOVKRIK-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.06
Rot. Bonds9

About N-(2-cyanoethyl)-2-(2-methoxyphenoxy)-N-(2-phenylethyl)acetamide

N-(2-cyanoethyl)-2-(2-methoxyphenoxy)-N-(2-phenylethyl)acetamide (PubChem CID 54790706) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2-methoxyphenoxy)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2-methoxyphenoxy)-N-(2-phenylethyl)acetamide
PubChem CID54790706
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(2-cyanoethyl)-2-(2-methoxyphenoxy)-N-(2-phenylethyl)acetamide
SMILESCOc1ccccc1OCC(=O)N(CCC#N)CCc1ccccc1
InChIInChI=1S/C20H22N2O3/c1-24-18-10-5-6-11-19(18)25-16-20(23)22(14-7-13-21)15-12-17-8-3-2-4-9-17/h2-6,8-11H,7,12,14-16H2,1H3
InChIKeyYVYGVQRNOVKRIK-UHFFFAOYSA-N
XLogP3.06
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-(2-phenylethyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54790525
2-(2-bromo-4-ethylphenoxy)-N-(2-cyanoethyl)-N-(2-phenylethyl)acetamide
CID 54790502
N-(2-aminoethyl)-2-(2-ethoxyphenoxy)-N-(2-phenylethyl)acetamide
CID 120884950
2-methoxyethyl 4-[2-cyanoethyl(2-phenylethyl)amino]-4-oxobutanoate
CID 54790631
N-(cyanomethyl)-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 94689354
N,N-bis(2-cyanoethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 78767174
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
N-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide
CID 54790711
N,N-bis(2-cyanoethyl)-2-(2,6-dimethylphenoxy)acetamide
CID 51142804
N-(2-hydroxyethyl)-2-(2-methoxyphenoxy)-N-propylacetamide
CID 60655941
N,N-bis(2-cyanoethyl)-2-(2-methoxyphenyl)sulfanylacetamide
CID 51095132
2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide
CID 82102572

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(2-methoxyphenoxy)-N-(2-phenylethyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2-methoxyphenoxy)-N-(2-phenylethyl)acetamide (CID 54790706) is N-(2-cyanoethyl)-2-(2-methoxyphenoxy)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2-methoxyphenoxy)-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2-methoxyphenoxy)-N-(2-phenylethyl)acetamide is COc1ccccc1OCC(=O)N(CCC#N)CCc1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-2-(2-methoxyphenoxy)-N-(2-phenylethyl)acetamide?
The InChIKey is YVYGVQRNOVKRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-24-18-10-5-6-11-19(18)25-16-20(23)22(14-7-13-21)15-12-17-8-3-2-4-9-17/h2-6,8-11H,7,12,14-16H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-(2-methoxyphenoxy)-N-(2-phenylethyl)acetamide?
N-(2-cyanoethyl)-2-(2-methoxyphenoxy)-N-(2-phenylethyl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.06, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(2-methoxyphenoxy)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 54790706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).