[2-(2-acetamido-1,3-dioxoinden-2-yl)-5-propan-2-ylphenyl] phenyl carbonate

C27H23NO6 — CID 71478171

IUPAC[2-(2-acetamido-1,3-dioxoinden-2-yl)-5-propan-2-ylphenyl] phenyl carbonate
SMILESCC(=O)NC1(c2ccc(C(C)C)cc2OC(=O)Oc2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C27H23NO6/c1-16(2)18-13-14-22(23(15-18)34-26(32)33-19-9-5-4-6-10-19)27(28-17(3)29)24(30)20-11-7-8-12-21(20)25(27)31/h4-16H,1-3H3,(H,28,29)
InChIKeyBSBQCHVKBYLRJL-UHFFFAOYSA-N
MW457.48 g/mol
LogP4.80
Rot. Bonds5

About [2-(2-acetamido-1,3-dioxoinden-2-yl)-5-propan-2-ylphenyl] phenyl carbonate

[2-(2-acetamido-1,3-dioxoinden-2-yl)-5-propan-2-ylphenyl] phenyl carbonate (PubChem CID 71478171) has the molecular formula C27H23NO6 and a molecular weight of 457.48 g/mol. Its IUPAC name is [2-(2-acetamido-1,3-dioxoinden-2-yl)-5-propan-2-ylphenyl] phenyl carbonate.

Molecular Properties

Compound Name[2-(2-acetamido-1,3-dioxoinden-2-yl)-5-propan-2-ylphenyl] phenyl carbonate
PubChem CID71478171
Molecular FormulaC27H23NO6
Molecular Weight457.48 g/mol
Exact Mass457.15
IUPAC Name[2-(2-acetamido-1,3-dioxoinden-2-yl)-5-propan-2-ylphenyl] phenyl carbonate
SMILESCC(=O)NC1(c2ccc(C(C)C)cc2OC(=O)Oc2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C27H23NO6/c1-16(2)18-13-14-22(23(15-18)34-26(32)33-19-9-5-4-6-10-19)27(28-17(3)29)24(30)20-11-7-8-12-21(20)25(27)31/h4-16H,1-3H3,(H,28,29)
InChIKeyBSBQCHVKBYLRJL-UHFFFAOYSA-N
XLogP4.80
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Analyze [2-(2-acetamido-1,3-dioxoinden-2-yl)-5-propan-2-ylphenyl] phenyl carbonate 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

[2-(2-acetamido-1,3-dioxo-5,6-dihydroinden-2-yl)-5-propan-2-ylphenyl] methyl carbonate
CID 138714280
ethyl N-[2-(2-methoxy-4-propan-2-ylphenyl)-1,3-dioxoinden-2-yl]carbamate
CID 71477447
N-[2-(2-methoxy-4-propan-2-ylphenyl)-1,3-dioxoinden-2-yl]cyclopropanecarboxamide
CID 71477294
[2-[4-amino-1,3-dioxo-2-(pentanoylamino)inden-2-yl]-5-propan-2-ylphenyl] pentanoate
CID 71477751
[2-[4-amino-1,3-dioxo-2-(pentanoylamino)inden-2-yl]-5-propan-2-ylphenyl] pentanoate;iron
CID 159565640
N-[2-(2-hydroxy-4-propan-2-ylphenyl)-1,3-dioxoinden-2-yl]octanamide
CID 140639211
[2-(6-carboxyoxy-5,7-dioxocyclopenta[b]pyridin-6-yl)-5-propan-2-ylphenyl] ethyl carbonate
CID 90097599
[2-[1,4-dioxo-2-(pentanoylamino)-3H-naphthalen-2-yl]-5-propan-2-ylphenyl] 2,2-dimethylpropanoate
CID 138714422
N-[4-amino-1,3-dioxo-2-(4-propan-2-ylphenyl)inden-2-yl]acetamide
CID 141356074
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
diphenyl carbonate;phenyl acetate
CID 90936233
ethane;methyl phenyl carbonate
CID 91113838

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetamido-1,3-dioxoinden-2-yl)-5-propan-2-ylphenyl] phenyl carbonate?
The IUPAC name of [2-(2-acetamido-1,3-dioxoinden-2-yl)-5-propan-2-ylphenyl] phenyl carbonate (CID 71478171) is [2-(2-acetamido-1,3-dioxoinden-2-yl)-5-propan-2-ylphenyl] phenyl carbonate.
What is the SMILES notation for [2-(2-acetamido-1,3-dioxoinden-2-yl)-5-propan-2-ylphenyl] phenyl carbonate?
The canonical SMILES for [2-(2-acetamido-1,3-dioxoinden-2-yl)-5-propan-2-ylphenyl] phenyl carbonate is CC(=O)NC1(c2ccc(C(C)C)cc2OC(=O)Oc2ccccc2)C(=O)c2ccccc2C1=O.
What is the InChIKey of [2-(2-acetamido-1,3-dioxoinden-2-yl)-5-propan-2-ylphenyl] phenyl carbonate?
The InChIKey is BSBQCHVKBYLRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO6/c1-16(2)18-13-14-22(23(15-18)34-26(32)33-19-9-5-4-6-10-19)27(28-17(3)29)24(30)20-11-7-8-12-21(20)25(27)31/h4-16H,1-3H3,(H,28,29).
What are the key properties of [2-(2-acetamido-1,3-dioxoinden-2-yl)-5-propan-2-ylphenyl] phenyl carbonate?
[2-(2-acetamido-1,3-dioxoinden-2-yl)-5-propan-2-ylphenyl] phenyl carbonate has a molecular weight of 457.48 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetamido-1,3-dioxoinden-2-yl)-5-propan-2-ylphenyl] phenyl carbonate is sourced from PubChem (CID 71478171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).