[2-(4-acetylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate

C23H27NO4 — CID 8506747

IUPAC[2-(4-acetylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)CCc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H27NO4/c1-16(25)18-8-12-20(13-9-18)24-21(26)15-28-22(27)14-7-17-5-10-19(11-6-17)23(2,3)4/h5-6,8-13H,7,14-15H2,1-4H3,(H,24,26)
InChIKeyGXMBVJPQOCAWOP-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.30
Rot. Bonds7

About [2-(4-acetylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate

[2-(4-acetylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate (PubChem CID 8506747) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate
PubChem CID8506747
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)CCc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H27NO4/c1-16(25)18-8-12-20(13-9-18)24-21(26)15-28-22(27)14-7-17-5-10-19(11-6-17)23(2,3)4/h5-6,8-13H,7,14-15H2,1-4H3,(H,24,26)
InChIKeyGXMBVJPQOCAWOP-UHFFFAOYSA-N
XLogP4.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-tert-butylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 40628747
methyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate
CID 8551955
[2-(2-methylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate
CID 8506708
methyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate
CID 7654687
[2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate
CID 9067520
[2-(4-tert-butylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7541303
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856033
[2-(4-acetylanilino)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8946700
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 4-oxo-4-(4-propylphenyl)butanoate
CID 7227194
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate
CID 7043065
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(4-tert-butylphenyl)propanoate
CID 8626203
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2369177

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate (CID 8506747) is [2-(4-acetylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate is CC(=O)c1ccc(NC(=O)COC(=O)CCc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate?
The InChIKey is GXMBVJPQOCAWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-16(25)18-8-12-20(13-9-18)24-21(26)15-28-22(27)14-7-17-5-10-19(11-6-17)23(2,3)4/h5-6,8-13H,7,14-15H2,1-4H3,(H,24,26).
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate?
[2-(4-acetylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate has a molecular weight of 381.47 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate is sourced from PubChem (CID 8506747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).