N-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide

C17H16N2O2 — CID 134035388

IUPACN-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide
SMILESN#Cc1ccc(CNC(=O)COCc2ccccc2)cc1
InChIInChI=1S/C17H16N2O2/c18-10-14-6-8-15(9-7-14)11-19-17(20)13-21-12-16-4-2-1-3-5-16/h1-9H,11-13H2,(H,19,20)
InChIKeyVLKAEUWZSNMBIL-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.39
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide

N-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide (PubChem CID 134035388) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide
PubChem CID134035388
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide
SMILESN#Cc1ccc(CNC(=O)COCc2ccccc2)cc1
InChIInChI=1S/C17H16N2O2/c18-10-14-6-8-15(9-7-14)11-19-17(20)13-21-12-16-4-2-1-3-5-16/h1-9H,11-13H2,(H,19,20)
InChIKeyVLKAEUWZSNMBIL-UHFFFAOYSA-N
XLogP2.39
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-cyanophenyl)methylsulfanyl]-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55766106
2-[(4-aminophenyl)methoxy]-N-benzylacetamide
CID 28973831
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352
N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 110473207
2-amino-N-[(4-cyanophenyl)methyl]acetamide
CID 60919000
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
N-benzyl-2-(3-cyanophenoxy)acetamide
CID 2591402
N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 110483851
4-(2-phenylethoxymethyl)benzonitrile
CID 43128153
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
CID 7492266
ethane;4-(2-oxopropoxymethyl)benzonitrile
CID 142506335

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide (CID 134035388) is N-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide is N#Cc1ccc(CNC(=O)COCc2ccccc2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide?
The InChIKey is VLKAEUWZSNMBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c18-10-14-6-8-15(9-7-14)11-19-17(20)13-21-12-16-4-2-1-3-5-16/h1-9H,11-13H2,(H,19,20).
What are the key properties of N-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide?
N-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide has a molecular weight of 280.33 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 134035388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).