[2-(2-acetylanilino)-2-oxoethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate

C24H27NO5 — CID 2420330

IUPAC[2-(2-acetylanilino)-2-oxoethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H27NO5/c1-16(26)19-7-5-6-8-20(19)25-22(28)15-30-23(29)14-13-21(27)17-9-11-18(12-10-17)24(2,3)4/h5-12H,13-15H2,1-4H3,(H,25,28)
InChIKeyKCULISSHAVEGOA-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.33
Rot. Bonds8

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

[2-(2-acetylanilino)-2-oxoethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate (PubChem CID 2420330) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate
PubChem CID2420330
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H27NO5/c1-16(26)19-7-5-6-8-20(19)25-22(28)15-30-23(29)14-13-21(27)17-9-11-18(12-10-17)24(2,3)4/h5-12H,13-15H2,1-4H3,(H,25,28)
InChIKeyKCULISSHAVEGOA-UHFFFAOYSA-N
XLogP4.33
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-acetylanilino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631779
[2-(2-acetylanilino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
CID 8882338
methyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
CID 2390831
ethyl 2-[[2-[4-(4-methylphenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
CID 24979171
[2-(2-acetylanilino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7221760
[2-(2-acetylanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7583449
[2-(2-acetylanilino)-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 2406749
ethyl 2-[[2-[2-[(4-tert-butylbenzoyl)amino]acetyl]oxyacetyl]amino]benzoate
CID 16533021
[2-(2-acetylanilino)-2-oxoethyl] (3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoate
CID 95633571
[2-(2-acetylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate
CID 8552631
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate
CID 55306100
[2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841781

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate (CID 2420330) is [2-(2-acetylanilino)-2-oxoethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate is CC(=O)c1ccccc1NC(=O)COC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate?
The InChIKey is KCULISSHAVEGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-16(26)19-7-5-6-8-20(19)25-22(28)15-30-23(29)14-13-21(27)17-9-11-18(12-10-17)24(2,3)4/h5-12H,13-15H2,1-4H3,(H,25,28).
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate?
[2-(2-acetylanilino)-2-oxoethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate has a molecular weight of 409.48 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate is sourced from PubChem (CID 2420330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).