2,2,2-tris(4-methoxyphenyl)-N-(2-phenylethyl)acetamide

C31H31NO4 — CID 44563474

IUPAC2,2,2-tris(4-methoxyphenyl)-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(C(C(=O)NCCc2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H31NO4/c1-34-27-15-9-24(10-16-27)31(25-11-17-28(35-2)18-12-25,26-13-19-29(36-3)20-14-26)30(33)32-22-21-23-7-5-4-6-8-23/h4-20H,21-22H2,1-3H3,(H,32,33)
InChIKeyIAUXMONHDHOAEN-UHFFFAOYSA-N
MW481.59 g/mol
LogP5.41
Rot. Bonds10

About 2,2,2-tris(4-methoxyphenyl)-N-(2-phenylethyl)acetamide

2,2,2-tris(4-methoxyphenyl)-N-(2-phenylethyl)acetamide (PubChem CID 44563474) has the molecular formula C31H31NO4 and a molecular weight of 481.59 g/mol. Its IUPAC name is 2,2,2-tris(4-methoxyphenyl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-tris(4-methoxyphenyl)-N-(2-phenylethyl)acetamide
PubChem CID44563474
Molecular FormulaC31H31NO4
Molecular Weight481.59 g/mol
Exact Mass481.23
IUPAC Name2,2,2-tris(4-methoxyphenyl)-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(C(C(=O)NCCc2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H31NO4/c1-34-27-15-9-24(10-16-27)31(25-11-17-28(35-2)18-12-25,26-13-19-29(36-3)20-14-26)30(33)32-22-21-23-7-5-4-6-8-23/h4-20H,21-22H2,1-3H3,(H,32,33)
InChIKeyIAUXMONHDHOAEN-UHFFFAOYSA-N
XLogP5.41
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.59
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide
CID 2933838
N-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide
CID 11259109
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-(4-methylphenyl)propanamide
CID 113198054
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
2-amino-2-ethyl-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 68730670
1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 90497661
2-hydroxy-2-methyl-N-(2-phenylethyl)propanamide
CID 71525164
N-tert-butyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964427
3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 110297227
N-[2-(4-methoxyphenyl)ethylcarbamothioyl]benzamide
CID 4266550
N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963881

Frequently Asked Questions

What is the IUPAC name of 2,2,2-tris(4-methoxyphenyl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2,2,2-tris(4-methoxyphenyl)-N-(2-phenylethyl)acetamide (CID 44563474) is 2,2,2-tris(4-methoxyphenyl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2,2,2-tris(4-methoxyphenyl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2,2,2-tris(4-methoxyphenyl)-N-(2-phenylethyl)acetamide is COc1ccc(C(C(=O)NCCc2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2,2,2-tris(4-methoxyphenyl)-N-(2-phenylethyl)acetamide?
The InChIKey is IAUXMONHDHOAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO4/c1-34-27-15-9-24(10-16-27)31(25-11-17-28(35-2)18-12-25,26-13-19-29(36-3)20-14-26)30(33)32-22-21-23-7-5-4-6-8-23/h4-20H,21-22H2,1-3H3,(H,32,33).
What are the key properties of 2,2,2-tris(4-methoxyphenyl)-N-(2-phenylethyl)acetamide?
2,2,2-tris(4-methoxyphenyl)-N-(2-phenylethyl)acetamide has a molecular weight of 481.59 g/mol, XLogP of 5.41, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tris(4-methoxyphenyl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 44563474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).