2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane

C19H22N2O — CID 145019649

IUPAC2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane
SMILESCC.N#CCC(=O)Nc1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C17H16N2O.C2H6/c18-13-12-17(20)19-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14;1-2/h1-5,8-11H,6-7,12H2,(H,19,20);1-2H3
InChIKeyYVZFIDVHZAUMNF-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.35
Rot. Bonds5

About 2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane

2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane (PubChem CID 145019649) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane.

Molecular Properties

Compound Name2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane
PubChem CID145019649
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane
SMILESCC.N#CCC(=O)Nc1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C17H16N2O.C2H6/c18-13-12-17(20)19-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14;1-2/h1-5,8-11H,6-7,12H2,(H,19,20);1-2H3
InChIKeyYVZFIDVHZAUMNF-UHFFFAOYSA-N
XLogP4.35
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 168522081
4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514
2-cyano-N-[4-(diethylaminomethyl)phenyl]acetamide
CID 168520957
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628
3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide
CID 108922560
3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide
CID 71583388
methyl 2-[4-[(2-cyanoacetyl)amino]phenyl]acetate
CID 83290938
N-[4-[(2-cyanoacetyl)amino]phenyl]-N-methylbenzamide
CID 168523080
N-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide
CID 108922603
N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
CID 674697

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane?
The IUPAC name of 2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane (CID 145019649) is 2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane.
What is the SMILES notation for 2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane?
The canonical SMILES for 2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane is CC.N#CCC(=O)Nc1ccc(CCc2ccccc2)cc1.
What is the InChIKey of 2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane?
The InChIKey is YVZFIDVHZAUMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O.C2H6/c18-13-12-17(20)19-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14;1-2/h1-5,8-11H,6-7,12H2,(H,19,20);1-2H3.
What are the key properties of 2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane?
2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane has a molecular weight of 294.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane is sourced from PubChem (CID 145019649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).