(4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate

C23H21NO3 — CID 8611518

IUPAC(4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21NO3/c1-17(25)24-22-13-9-18(10-14-22)15-23(26)27-16-19-7-11-21(12-8-19)20-5-3-2-4-6-20/h2-14H,15-16H2,1H3,(H,24,25)
InChIKeyBLRWJDOZZSXJQT-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.60
Rot. Bonds6

About (4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate

(4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate (PubChem CID 8611518) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate
PubChem CID8611518
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name(4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21NO3/c1-17(25)24-22-13-9-18(10-14-22)15-23(26)27-16-19-7-11-21(12-8-19)20-5-3-2-4-6-20/h2-14H,15-16H2,1H3,(H,24,25)
InChIKeyBLRWJDOZZSXJQT-UHFFFAOYSA-N
XLogP4.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetamidophenyl)acetate
CID 8610251
N-(4-phenylphenyl)acetamide
CID 19998
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2369177
[2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
CID 8011307
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 8009828
benzyl 2-(4-acetylphenyl)acetate
CID 121231799
(2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate
CID 8608168
(4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate
CID 7826713
hexakis(methyl 2-phenylacetate);hexakis(N-phenylacetamide)
CID 174503010
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8609217
N-(4-hydroxyphenyl)-2-(4-phenylphenyl)acetamide
CID 71422853
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7704331

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate?
The IUPAC name of (4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate (CID 8611518) is (4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for (4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate?
The canonical SMILES for (4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)OCc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of (4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate?
The InChIKey is BLRWJDOZZSXJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-17(25)24-22-13-9-18(10-14-22)15-23(26)27-16-19-7-11-21(12-8-19)20-5-3-2-4-6-20/h2-14H,15-16H2,1H3,(H,24,25).
What are the key properties of (4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate?
(4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate has a molecular weight of 359.43 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8611518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).