[2-(4-acetamidophenyl)-2-oxoethyl] 4-(2-methylpropoxy)benzoate

C21H23NO5 — CID 7194212

IUPAC[2-(4-acetamidophenyl)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C21H23NO5/c1-14(2)12-26-19-10-6-17(7-11-19)21(25)27-13-20(24)16-4-8-18(9-5-16)22-15(3)23/h4-11,14H,12-13H2,1-3H3,(H,22,23)
InChIKeySZGDTVBTKIJEDY-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.72
Rot. Bonds8

About [2-(4-acetamidophenyl)-2-oxoethyl] 4-(2-methylpropoxy)benzoate

[2-(4-acetamidophenyl)-2-oxoethyl] 4-(2-methylpropoxy)benzoate (PubChem CID 7194212) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is [2-(4-acetamidophenyl)-2-oxoethyl] 4-(2-methylpropoxy)benzoate.

Molecular Properties

Compound Name[2-(4-acetamidophenyl)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
PubChem CID7194212
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name[2-(4-acetamidophenyl)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C21H23NO5/c1-14(2)12-26-19-10-6-17(7-11-19)21(25)27-13-20(24)16-4-8-18(9-5-16)22-15(3)23/h4-11,14H,12-13H2,1-3H3,(H,22,23)
InChIKeySZGDTVBTKIJEDY-UHFFFAOYSA-N
XLogP3.72
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetamidophenyl)-2-oxoethyl] 4-butoxybenzoate
CID 8863260
[2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate
CID 7211682
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7194340
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 4-(2-methylpropoxy)benzoate
CID 16503104
[2-oxo-2-(propan-2-ylamino)ethyl] 4-(2-methylpropoxy)benzoate
CID 2680608
[2-(3-acetylanilino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 2680545
[2-(4-acetamidophenyl)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 8792042
N-[4-[2-(4-ethoxyphenoxy)acetyl]phenyl]acetamide
CID 2560779
[1-(4-cyanoanilino)-1-oxopropan-2-yl] 4-(2-methylpropoxy)benzoate
CID 18209931
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7210798
4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2994766
N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820398

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 4-(2-methylpropoxy)benzoate?
The IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 4-(2-methylpropoxy)benzoate (CID 7194212) is [2-(4-acetamidophenyl)-2-oxoethyl] 4-(2-methylpropoxy)benzoate.
What is the SMILES notation for [2-(4-acetamidophenyl)-2-oxoethyl] 4-(2-methylpropoxy)benzoate?
The canonical SMILES for [2-(4-acetamidophenyl)-2-oxoethyl] 4-(2-methylpropoxy)benzoate is CC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of [2-(4-acetamidophenyl)-2-oxoethyl] 4-(2-methylpropoxy)benzoate?
The InChIKey is SZGDTVBTKIJEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-14(2)12-26-19-10-6-17(7-11-19)21(25)27-13-20(24)16-4-8-18(9-5-16)22-15(3)23/h4-11,14H,12-13H2,1-3H3,(H,22,23).
What are the key properties of [2-(4-acetamidophenyl)-2-oxoethyl] 4-(2-methylpropoxy)benzoate?
[2-(4-acetamidophenyl)-2-oxoethyl] 4-(2-methylpropoxy)benzoate has a molecular weight of 369.42 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidophenyl)-2-oxoethyl] 4-(2-methylpropoxy)benzoate is sourced from PubChem (CID 7194212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).