N-(1,1-diphenylethyl)-2-(4-propanoylphenoxy)acetamide

C25H25NO3 — CID 56522918

IUPACN-(1,1-diphenylethyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NC(C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H25NO3/c1-3-23(27)19-14-16-22(17-15-19)29-18-24(28)26-25(2,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17H,3,18H2,1-2H3,(H,26,28)
InChIKeyBQKWAMXESZIVLK-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.74
Rot. Bonds8

About N-(1,1-diphenylethyl)-2-(4-propanoylphenoxy)acetamide

N-(1,1-diphenylethyl)-2-(4-propanoylphenoxy)acetamide (PubChem CID 56522918) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(1,1-diphenylethyl)-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,1-diphenylethyl)-2-(4-propanoylphenoxy)acetamide
PubChem CID56522918
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC NameN-(1,1-diphenylethyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NC(C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H25NO3/c1-3-23(27)19-14-16-22(17-15-19)29-18-24(28)26-25(2,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17H,3,18H2,1-2H3,(H,26,28)
InChIKeyBQKWAMXESZIVLK-UHFFFAOYSA-N
XLogP4.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylphenoxy)-N-(1,1-diphenylethyl)acetamide
CID 56522786
2-(4-cyanophenoxy)-N-(1,1-diphenylethyl)acetamide
CID 56522927
N-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide
CID 51326556
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide
CID 8604749
4,4,4-trifluoro-3-[[2-(4-propanoylphenoxy)acetyl]amino]butanoic acid
CID 46982763
N-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide
CID 7935611
2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 18109151
N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide
CID 7044052
N-(4-ethoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2542308
N-(1-amino-2-methylpropan-2-yl)-2-(4-benzoylphenoxy)acetamide
CID 119522817
N-(2,5-dibromophenyl)-2-(4-propanoylphenoxy)acetamide
CID 39166764
N-methyl-N-phenyl-2-(4-propanoylphenoxy)acetamide
CID 78760468

Frequently Asked Questions

What is the IUPAC name of N-(1,1-diphenylethyl)-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-(1,1-diphenylethyl)-2-(4-propanoylphenoxy)acetamide (CID 56522918) is N-(1,1-diphenylethyl)-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-(1,1-diphenylethyl)-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-(1,1-diphenylethyl)-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)NC(C)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(1,1-diphenylethyl)-2-(4-propanoylphenoxy)acetamide?
The InChIKey is BQKWAMXESZIVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-3-23(27)19-14-16-22(17-15-19)29-18-24(28)26-25(2,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17H,3,18H2,1-2H3,(H,26,28).
What are the key properties of N-(1,1-diphenylethyl)-2-(4-propanoylphenoxy)acetamide?
N-(1,1-diphenylethyl)-2-(4-propanoylphenoxy)acetamide has a molecular weight of 387.48 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-diphenylethyl)-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 56522918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).