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

C18H18N2O2 — CID 22682756

IUPAC2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide
SMILESN#CCC(=O)NCc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C18H18N2O2/c19-12-10-18(21)20-14-16-6-8-17(9-7-16)22-13-11-15-4-2-1-3-5-15/h1-9H,10-11,13-14H2,(H,20,21)
InChIKeyIKYZKUAPJMARMU-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.84
Rot. Bonds7

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

2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide (PubChem CID 22682756) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide
PubChem CID22682756
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide
SMILESN#CCC(=O)NCc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C18H18N2O2/c19-12-10-18(21)20-14-16-6-8-17(9-7-16)22-13-11-15-4-2-1-3-5-15/h1-9H,10-11,13-14H2,(H,20,21)
InChIKeyIKYZKUAPJMARMU-UHFFFAOYSA-N
XLogP2.84
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide
CID 20992997
2-cyano-N-[2-[4-(2-phenylethoxy)phenyl]ethyl]acetamide
CID 22684460
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
CID 20985280
sodium;N-benzyl-2-cyanoacetamide;hydride
CID 173433462
2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20991624
2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 20993633
2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide
CID 20985387
2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 20991735
N-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide
CID 4956632
4-oxo-4-[[4-(3-phenylpropoxy)phenyl]methylamino]butanoic acid
CID 20990989
2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide
CID 22683914
N-[[3-chloro-5-ethoxy-4-(2-phenylethoxy)phenyl]methyl]-2-cyanoacetamide
CID 20990441

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide (CID 22682756) is 2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide is N#CCC(=O)NCc1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide?
The InChIKey is IKYZKUAPJMARMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c19-12-10-18(21)20-14-16-6-8-17(9-7-16)22-13-11-15-4-2-1-3-5-15/h1-9H,10-11,13-14H2,(H,20,21).
What are the key properties of 2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide?
2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide has a molecular weight of 294.35 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 22682756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).