N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide

C24H25NO2 — CID 100516355

IUPACN-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide
SMILESCOc1ccc(CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H25NO2/c1-27-23-15-11-19(12-16-23)6-5-17-25-24(26)18-20-9-13-22(14-10-20)21-7-3-2-4-8-21/h2-4,7-16H,5-6,17-18H2,1H3,(H,25,26)
InChIKeyBOVBYQFXPKVYCF-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.65
Rot. Bonds8

About N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide

N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide (PubChem CID 100516355) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide
PubChem CID100516355
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC NameN-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide
SMILESCOc1ccc(CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H25NO2/c1-27-23-15-11-19(12-16-23)6-5-17-25-24(26)18-20-9-13-22(14-10-20)21-7-3-2-4-8-21/h2-4,7-16H,5-6,17-18H2,1H3,(H,25,26)
InChIKeyBOVBYQFXPKVYCF-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide (CID 100516355) is N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide is COc1ccc(CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is BOVBYQFXPKVYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-27-23-15-11-19(12-16-23)6-5-17-25-24(26)18-20-9-13-22(14-10-20)21-7-3-2-4-8-21/h2-4,7-16H,5-6,17-18H2,1H3,(H,25,26).
What are the key properties of N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide?
N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 359.47 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 100516355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).