2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide

C28H25NO2 — CID 2964251

IUPAC2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NC(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C28H25NO2/c1-31-26-18-12-21(13-19-26)20-27(30)29-28(24-10-6-3-7-11-24)25-16-14-23(15-17-25)22-8-4-2-5-9-22/h2-19,28H,20H2,1H3,(H,29,30)
InChIKeyIBLAOOBACAVZQL-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.81
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide

2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide (PubChem CID 2964251) has the molecular formula C28H25NO2 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
PubChem CID2964251
Molecular FormulaC28H25NO2
Molecular Weight407.51 g/mol
Exact Mass407.19
IUPAC Name2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NC(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C28H25NO2/c1-31-26-18-12-21(13-19-26)20-27(30)29-28(24-10-6-3-7-11-24)25-16-14-23(15-17-25)22-8-4-2-5-9-22/h2-19,28H,20H2,1H3,(H,29,30)
InChIKeyIBLAOOBACAVZQL-UHFFFAOYSA-N
XLogP5.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
3-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133220674
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
N-[(4-methoxyphenyl)-phenylmethyl]-2-[4-(propylcarbamoylamino)phenyl]acetamide
CID 86878568
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250
2-anilino-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 18197509
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 86916761
[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 8011640

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide (CID 2964251) is 2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide is COc1ccc(CC(=O)NC(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide?
The InChIKey is IBLAOOBACAVZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO2/c1-31-26-18-12-21(13-19-26)20-27(30)29-28(24-10-6-3-7-11-24)25-16-14-23(15-17-25)22-8-4-2-5-9-22/h2-19,28H,20H2,1H3,(H,29,30).
What are the key properties of 2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide?
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide has a molecular weight of 407.51 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide is sourced from PubChem (CID 2964251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).