2-cyano-N-[2-[4-(2-phenylethoxy)phenyl]ethyl]acetamide

C19H20N2O2 — CID 22684460

IUPAC2-cyano-N-[2-[4-(2-phenylethoxy)phenyl]ethyl]acetamide
SMILESN#CCC(=O)NCCc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C19H20N2O2/c20-13-10-19(22)21-14-11-17-6-8-18(9-7-17)23-15-12-16-4-2-1-3-5-16/h1-9H,10-12,14-15H2,(H,21,22)
InChIKeyTYALYFNCWSQOED-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.88
Rot. Bonds8

About 2-cyano-N-[2-[4-(2-phenylethoxy)phenyl]ethyl]acetamide

2-cyano-N-[2-[4-(2-phenylethoxy)phenyl]ethyl]acetamide (PubChem CID 22684460) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-cyano-N-[2-[4-(2-phenylethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-[4-(2-phenylethoxy)phenyl]ethyl]acetamide
PubChem CID22684460
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-cyano-N-[2-[4-(2-phenylethoxy)phenyl]ethyl]acetamide
SMILESN#CCC(=O)NCCc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C19H20N2O2/c20-13-10-19(22)21-14-11-17-6-8-18(9-7-17)23-15-12-16-4-2-1-3-5-16/h1-9H,10-12,14-15H2,(H,21,22)
InChIKeyTYALYFNCWSQOED-UHFFFAOYSA-N
XLogP2.88
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide
CID 22682756
N-[2-[4-[2-(2-chlorophenoxy)ethoxy]phenyl]ethyl]-2-cyanoacetamide
CID 22680206
2-cyano-N-[2-[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 22684436
2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide
CID 20992997
2-cyano-N-[2-[4-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20990071
2-cyano-N-[2-[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 22684620
2-cyano-N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]acetamide
CID 22684691
2-cyano-N-[2-[4-methoxy-2-(3-phenylpropoxy)phenyl]ethyl]acetamide
CID 22685010
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide
CID 22679906
2-cyano-N-[2-[3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984674
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[4-(2-phenylethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-cyano-N-[2-[4-(2-phenylethoxy)phenyl]ethyl]acetamide (CID 22684460) is 2-cyano-N-[2-[4-(2-phenylethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-[4-(2-phenylethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-[4-(2-phenylethoxy)phenyl]ethyl]acetamide is N#CCC(=O)NCCc1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 2-cyano-N-[2-[4-(2-phenylethoxy)phenyl]ethyl]acetamide?
The InChIKey is TYALYFNCWSQOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c20-13-10-19(22)21-14-11-17-6-8-18(9-7-17)23-15-12-16-4-2-1-3-5-16/h1-9H,10-12,14-15H2,(H,21,22).
What are the key properties of 2-cyano-N-[2-[4-(2-phenylethoxy)phenyl]ethyl]acetamide?
2-cyano-N-[2-[4-(2-phenylethoxy)phenyl]ethyl]acetamide has a molecular weight of 308.38 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[4-(2-phenylethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 22684460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).