2-(4-cyanophenyl)-2-methoxy-3-phenylpropanamide

C17H16N2O2 — CID 172727597

IUPAC2-(4-cyanophenyl)-2-methoxy-3-phenylpropanamide
SMILESCOC(Cc1ccccc1)(C(N)=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H16N2O2/c1-21-17(16(19)20,11-13-5-3-2-4-6-13)15-9-7-14(12-18)8-10-15/h2-10H,11H2,1H3,(H2,19,20)
InChIKeyHIVIHZHTBBFRKD-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.13
Rot. Bonds5

About 2-(4-cyanophenyl)-2-methoxy-3-phenylpropanamide

2-(4-cyanophenyl)-2-methoxy-3-phenylpropanamide (PubChem CID 172727597) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-2-methoxy-3-phenylpropanamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-2-methoxy-3-phenylpropanamide
PubChem CID172727597
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(4-cyanophenyl)-2-methoxy-3-phenylpropanamide
SMILESCOC(Cc1ccccc1)(C(N)=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H16N2O2/c1-21-17(16(19)20,11-13-5-3-2-4-6-13)15-9-7-14(12-18)8-10-15/h2-10H,11H2,1H3,(H2,19,20)
InChIKeyHIVIHZHTBBFRKD-UHFFFAOYSA-N
XLogP2.13
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-cyanophenyl)-2-methyl-3-phenylpropanoate
CID 117048143
2-(4-cyanophenyl)-2-methyl-3-phenylpropanoic acid
CID 117048107
2-(4-cyanophenyl)-2-hydroxy-2-phenylacetamide
CID 139613574
(2S)-2-benzyl-3-(4-cyanophenoxy)-2-hydroxypropanoic acid
CID 70837094
2-cyano-2-methoxy-3-phenylpropanoic acid
CID 149477841
benzonitrile;ethyl acetate;hydrate
CID 174550045
4-(2-hydroxy-4-phenylbutan-2-yl)benzonitrile
CID 115481593
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
ethyl 2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoate
CID 117048352
benzyl N-[(4-cyanophenyl)-diphenylmethyl]carbamate;dihydroxy(oxo)phosphanium
CID 67006644
ethyl 2,2-bis[(4-cyanophenyl)methyl]-3-oxobutanoate
CID 69408236
ethyl 3-cyano-2-(4-cyanophenyl)-2-methylpropanoate
CID 117049504

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-2-methoxy-3-phenylpropanamide?
The IUPAC name of 2-(4-cyanophenyl)-2-methoxy-3-phenylpropanamide (CID 172727597) is 2-(4-cyanophenyl)-2-methoxy-3-phenylpropanamide.
What is the SMILES notation for 2-(4-cyanophenyl)-2-methoxy-3-phenylpropanamide?
The canonical SMILES for 2-(4-cyanophenyl)-2-methoxy-3-phenylpropanamide is COC(Cc1ccccc1)(C(N)=O)c1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-2-methoxy-3-phenylpropanamide?
The InChIKey is HIVIHZHTBBFRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-17(16(19)20,11-13-5-3-2-4-6-13)15-9-7-14(12-18)8-10-15/h2-10H,11H2,1H3,(H2,19,20).
What are the key properties of 2-(4-cyanophenyl)-2-methoxy-3-phenylpropanamide?
2-(4-cyanophenyl)-2-methoxy-3-phenylpropanamide has a molecular weight of 280.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-2-methoxy-3-phenylpropanamide is sourced from PubChem (CID 172727597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).