ethyl 2-[4-(2,2-diphenylpropanoylamino)phenoxy]acetate

C25H25NO4 — CID 100781586

IUPACethyl 2-[4-(2,2-diphenylpropanoylamino)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H25NO4/c1-3-29-23(27)18-30-22-16-14-21(15-17-22)26-24(28)25(2,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17H,3,18H2,1-2H3,(H,26,28)
InChIKeyXZZSZKRUMUSFFZ-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.57
Rot. Bonds8

About ethyl 2-[4-(2,2-diphenylpropanoylamino)phenoxy]acetate

ethyl 2-[4-(2,2-diphenylpropanoylamino)phenoxy]acetate (PubChem CID 100781586) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is ethyl 2-[4-(2,2-diphenylpropanoylamino)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2,2-diphenylpropanoylamino)phenoxy]acetate
PubChem CID100781586
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Nameethyl 2-[4-(2,2-diphenylpropanoylamino)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H25NO4/c1-3-29-23(27)18-30-22-16-14-21(15-17-22)26-24(28)25(2,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17H,3,18H2,1-2H3,(H,26,28)
InChIKeyXZZSZKRUMUSFFZ-UHFFFAOYSA-N
XLogP4.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-[4-(benzenesulfonamido)phenoxy]acetate
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ethyl 2-[4-[2-(benzenesulfonamido)propan-2-yl]phenoxy]acetate
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ethyl 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetate
CID 17065223
ethyl 2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]acetate
CID 86604944
ethyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate
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ethyl 2-[4-[[(Z)-1,2-dihydroindol-3-ylidene(phenyl)methyl]amino]phenoxy]acetate
CID 141020011
3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-2,2-diphenylpropanamide
CID 100781828

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2,2-diphenylpropanoylamino)phenoxy]acetate?
The IUPAC name of ethyl 2-[4-(2,2-diphenylpropanoylamino)phenoxy]acetate (CID 100781586) is ethyl 2-[4-(2,2-diphenylpropanoylamino)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-(2,2-diphenylpropanoylamino)phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-(2,2-diphenylpropanoylamino)phenoxy]acetate is CCOC(=O)COc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of ethyl 2-[4-(2,2-diphenylpropanoylamino)phenoxy]acetate?
The InChIKey is XZZSZKRUMUSFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-3-29-23(27)18-30-22-16-14-21(15-17-22)26-24(28)25(2,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17H,3,18H2,1-2H3,(H,26,28).
What are the key properties of ethyl 2-[4-(2,2-diphenylpropanoylamino)phenoxy]acetate?
ethyl 2-[4-(2,2-diphenylpropanoylamino)phenoxy]acetate has a molecular weight of 403.48 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2,2-diphenylpropanoylamino)phenoxy]acetate is sourced from PubChem (CID 100781586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).