N-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide

C26H27NO3 — CID 7935611

IUPACN-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H27NO3/c1-2-25(28)22-13-15-23(16-14-22)30-19-26(29)27-18-17-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,24H,2,17-19H2,1H3,(H,27,29)
InChIKeyHRWVBVRISRNURE-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.00
Rot. Bonds10

About N-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide

N-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide (PubChem CID 7935611) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide
PubChem CID7935611
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC NameN-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H27NO3/c1-2-25(28)22-13-15-23(16-14-22)30-19-26(29)27-18-17-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,24H,2,17-19H2,1H3,(H,27,29)
InChIKeyHRWVBVRISRNURE-UHFFFAOYSA-N
XLogP5.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide
CID 51326556
N-(2-morpholin-4-yl-2-phenylethyl)-2-(4-propanoylphenoxy)acetamide
CID 46578551
N-(3-ethoxypropyl)-2-(4-propanoylphenoxy)acetamide
CID 78760477
N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide
CID 71689998
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide
CID 120828053
N-[2-(4-bromophenyl)sulfanylethyl]-2-(4-propanoylphenoxy)acetamide
CID 17394310
N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 9220223
N-(1,1-diphenylethyl)-2-(4-propanoylphenoxy)acetamide
CID 56522918
N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide
CID 78760578
2-(4-propanoylphenoxy)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 55932425
2-(2,4-dimethylphenoxy)-N-(3,3-diphenylpropyl)acetamide
CID 39939589

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide (CID 7935611) is N-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)NCCC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide?
The InChIKey is HRWVBVRISRNURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3/c1-2-25(28)22-13-15-23(16-14-22)30-19-26(29)27-18-17-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,24H,2,17-19H2,1H3,(H,27,29).
What are the key properties of N-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide?
N-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide has a molecular weight of 401.51 g/mol, XLogP of 5.00, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 7935611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).