[2-(2-benzoylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate

C25H23NO5 — CID 7210429

IUPAC[2-(2-benzoylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H23NO5/c1-17(2)31-20-14-12-19(13-15-20)25(29)30-16-23(27)26-22-11-7-6-10-21(22)24(28)18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H,26,27)
InChIKeyWXZRZNJDYFOTKE-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.50
Rot. Bonds8

About [2-(2-benzoylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate

[2-(2-benzoylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate (PubChem CID 7210429) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is [2-(2-benzoylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate.

Molecular Properties

Compound Name[2-(2-benzoylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
PubChem CID7210429
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name[2-(2-benzoylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H23NO5/c1-17(2)31-20-14-12-19(13-15-20)25(29)30-16-23(27)26-22-11-7-6-10-21(22)24(28)18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H,26,27)
InChIKeyWXZRZNJDYFOTKE-UHFFFAOYSA-N
XLogP4.50
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
CID 7695978
[2-(2-methylsulfanylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7193491
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-propan-2-yloxybenzoate
CID 2112543
[2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 4989481
[2-(2-benzoylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 7766787
[2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate
CID 5155011
[2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate
CID 4664729
[2-(2-benzoylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7844686
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 7291060
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605484
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7193277
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 4802665

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate?
The IUPAC name of [2-(2-benzoylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate (CID 7210429) is [2-(2-benzoylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate.
What is the SMILES notation for [2-(2-benzoylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate?
The canonical SMILES for [2-(2-benzoylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate is CC(C)Oc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(2-benzoylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate?
The InChIKey is WXZRZNJDYFOTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5/c1-17(2)31-20-14-12-19(13-15-20)25(29)30-16-23(27)26-22-11-7-6-10-21(22)24(28)18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H,26,27).
What are the key properties of [2-(2-benzoylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate?
[2-(2-benzoylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate has a molecular weight of 417.46 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate is sourced from PubChem (CID 7210429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).