(4-propan-2-ylphenyl) 3,5-diacetamidobenzoate

C20H22N2O4 — CID 78776038

IUPAC(4-propan-2-ylphenyl) 3,5-diacetamidobenzoate
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)Oc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H22N2O4/c1-12(2)15-5-7-19(8-6-15)26-20(25)16-9-17(21-13(3)23)11-18(10-16)22-14(4)24/h5-12H,1-4H3,(H,21,23)(H,22,24)
InChIKeyAVKQGLGZFFSSKG-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.95
Rot. Bonds5

About (4-propan-2-ylphenyl) 3,5-diacetamidobenzoate

(4-propan-2-ylphenyl) 3,5-diacetamidobenzoate (PubChem CID 78776038) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (4-propan-2-ylphenyl) 3,5-diacetamidobenzoate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl) 3,5-diacetamidobenzoate
PubChem CID78776038
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(4-propan-2-ylphenyl) 3,5-diacetamidobenzoate
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)Oc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H22N2O4/c1-12(2)15-5-7-19(8-6-15)26-20(25)16-9-17(21-13(3)23)11-18(10-16)22-14(4)24/h5-12H,1-4H3,(H,21,23)(H,22,24)
InChIKeyAVKQGLGZFFSSKG-UHFFFAOYSA-N
XLogP3.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-propan-2-ylphenyl) 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

bis(4-propan-2-ylphenyl) benzene-1,3-dicarboxylate
CID 91739884
[4-(hydroxycarbamoylamino)phenyl] 4-propan-2-ylbenzoate
CID 22762252
(4-methylphenyl) 4-propan-2-ylbenzoate
CID 1406523
(4-chlorophenyl) 3-acetamidobenzoate
CID 47098149
[4-[(2,5-dichlorophenyl)carbamoyl]phenyl] 4-propan-2-ylbenzoate
CID 2071959
(4-ethylphenyl) 4-propan-2-ylbenzoate
CID 1406527
(4-acetamidophenyl) 4-chlorobenzoate
CID 586902
(4-methylphenyl) 3-acetamidobenzoate
CID 47098191
(4-methoxycarbonylphenyl) 4-acetamidobenzoate
CID 7761360
(4-propan-2-ylphenyl) 3-iodo-4-methylbenzoate
CID 4636381
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate
CID 43015349
(3,5-dimethylphenyl) 4-propan-2-ylbenzoate
CID 1406526

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl) 3,5-diacetamidobenzoate?
The IUPAC name of (4-propan-2-ylphenyl) 3,5-diacetamidobenzoate (CID 78776038) is (4-propan-2-ylphenyl) 3,5-diacetamidobenzoate.
What is the SMILES notation for (4-propan-2-ylphenyl) 3,5-diacetamidobenzoate?
The canonical SMILES for (4-propan-2-ylphenyl) 3,5-diacetamidobenzoate is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Oc2ccc(C(C)C)cc2)c1.
What is the InChIKey of (4-propan-2-ylphenyl) 3,5-diacetamidobenzoate?
The InChIKey is AVKQGLGZFFSSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-12(2)15-5-7-19(8-6-15)26-20(25)16-9-17(21-13(3)23)11-18(10-16)22-14(4)24/h5-12H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of (4-propan-2-ylphenyl) 3,5-diacetamidobenzoate?
(4-propan-2-ylphenyl) 3,5-diacetamidobenzoate has a molecular weight of 354.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl) 3,5-diacetamidobenzoate is sourced from PubChem (CID 78776038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).