[1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate

C24H28N2O5 — CID 55321565

IUPAC[1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)OC(C)C(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C24H28N2O5/c1-14(22(29)17-7-9-19(10-8-17)24(4,5)6)31-23(30)18-11-20(25-15(2)27)13-21(12-18)26-16(3)28/h7-14H,1-6H3,(H,25,27)(H,26,28)
InChIKeyFRODDUJFWJDWIJ-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.33
Rot. Bonds6

About [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate

[1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate (PubChem CID 55321565) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate.

Molecular Properties

Compound Name[1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate
PubChem CID55321565
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name[1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)OC(C)C(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C24H28N2O5/c1-14(22(29)17-7-9-19(10-8-17)24(4,5)6)31-23(30)18-11-20(25-15(2)27)13-21(12-18)26-16(3)28/h7-14H,1-6H3,(H,25,27)(H,26,28)
InChIKeyFRODDUJFWJDWIJ-UHFFFAOYSA-N
XLogP4.33
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-tert-butylanilino)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 16520835
[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 4-tert-butylbenzoate
CID 7891842
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 882656
[(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 2513587
[(2R)-1-anilino-1-oxopropan-2-yl] 3,5-diacetamidobenzoate
CID 26002721
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 7949828
[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 957246
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2,6-dichlorobenzoate
CID 7723640
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3-nitrobenzoate
CID 7866133
[(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate
CID 41235805
[1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 4-chloro-2-hydroxybenzoate
CID 3928448
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate
CID 43015349

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate?
The IUPAC name of [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate (CID 55321565) is [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate.
What is the SMILES notation for [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate?
The canonical SMILES for [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OC(C)C(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate?
The InChIKey is FRODDUJFWJDWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-14(22(29)17-7-9-19(10-8-17)24(4,5)6)31-23(30)18-11-20(25-15(2)27)13-21(12-18)26-16(3)28/h7-14H,1-6H3,(H,25,27)(H,26,28).
What are the key properties of [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate?
[1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate has a molecular weight of 424.50 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate is sourced from PubChem (CID 55321565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).