tert-butyl 2-benzamido-4-[2-(2-oxo-1,3-dihydroindol-6-yl)ethenyl]benzoate

C28H26N2O4 — CID 67343578

IUPACtert-butyl 2-benzamido-4-[2-(2-oxo-1,3-dihydroindol-6-yl)ethenyl]benzoate
SMILESCC(C)(C)OC(=O)c1ccc(C=Cc2ccc3c(c2)NC(=O)C3)cc1NC(=O)c1ccccc1
InChIInChI=1S/C28H26N2O4/c1-28(2,3)34-27(33)22-14-12-19(16-24(22)30-26(32)20-7-5-4-6-8-20)10-9-18-11-13-21-17-25(31)29-23(21)15-18/h4-16H,17H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyFFAQBCAVYRCVQN-UHFFFAOYSA-N
MW454.53 g/mol
LogP5.56
Rot. Bonds5

About tert-butyl 2-benzamido-4-[2-(2-oxo-1,3-dihydroindol-6-yl)ethenyl]benzoate

tert-butyl 2-benzamido-4-[2-(2-oxo-1,3-dihydroindol-6-yl)ethenyl]benzoate (PubChem CID 67343578) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is tert-butyl 2-benzamido-4-[2-(2-oxo-1,3-dihydroindol-6-yl)ethenyl]benzoate.

Molecular Properties

Compound Nametert-butyl 2-benzamido-4-[2-(2-oxo-1,3-dihydroindol-6-yl)ethenyl]benzoate
PubChem CID67343578
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC Nametert-butyl 2-benzamido-4-[2-(2-oxo-1,3-dihydroindol-6-yl)ethenyl]benzoate
SMILESCC(C)(C)OC(=O)c1ccc(C=Cc2ccc3c(c2)NC(=O)C3)cc1NC(=O)c1ccccc1
InChIInChI=1S/C28H26N2O4/c1-28(2,3)34-27(33)22-14-12-19(16-24(22)30-26(32)20-7-5-4-6-8-20)10-9-18-11-13-21-17-25(31)29-23(21)15-18/h4-16H,17H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyFFAQBCAVYRCVQN-UHFFFAOYSA-N
XLogP5.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-benzamido-4-[(E)-2-cyclohexylethenyl]benzoate
CID 140539352
tert-butyl 2-[(4-fluorobenzoyl)amino]-4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate
CID 67342390
tert-butyl 2-benzamido-4-[(E)-2-(2-hydroxyphenyl)ethenyl]benzenecarboperoxoate
CID 174534950
2-benzamido-4-[(E)-2-(3,5-dichlorophenyl)ethenyl]benzoic acid
CID 69093707
N-[(2-oxo-1,3-dihydroindol-6-yl)carbamoyl]benzamide
CID 165033132
tert-butyl 2-benzamido-4-(1-benzofuran-5-yloxy)benzoate
CID 91609775
N-(2-cyanophenyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711879
tert-butyl 2-[(2,3-dimethylbenzoyl)amino]-4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate
CID 67344207
6-benzoyl-1,3-dihydroindol-2-one
CID 13408231
tert-butyl 2-[[3-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-phenoxybenzoate
CID 91219214
tert-butyl 4-[(E)-2-(4-acetamidophenyl)ethenyl]-2-(4-fluoroanilino)benzoate
CID 68957316
tert-butyl 4-[2-(4-acetamidophenyl)ethenyl]-2-(4-fluoroanilino)benzoate
CID 68957317

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-benzamido-4-[2-(2-oxo-1,3-dihydroindol-6-yl)ethenyl]benzoate?
The IUPAC name of tert-butyl 2-benzamido-4-[2-(2-oxo-1,3-dihydroindol-6-yl)ethenyl]benzoate (CID 67343578) is tert-butyl 2-benzamido-4-[2-(2-oxo-1,3-dihydroindol-6-yl)ethenyl]benzoate.
What is the SMILES notation for tert-butyl 2-benzamido-4-[2-(2-oxo-1,3-dihydroindol-6-yl)ethenyl]benzoate?
The canonical SMILES for tert-butyl 2-benzamido-4-[2-(2-oxo-1,3-dihydroindol-6-yl)ethenyl]benzoate is CC(C)(C)OC(=O)c1ccc(C=Cc2ccc3c(c2)NC(=O)C3)cc1NC(=O)c1ccccc1.
What is the InChIKey of tert-butyl 2-benzamido-4-[2-(2-oxo-1,3-dihydroindol-6-yl)ethenyl]benzoate?
The InChIKey is FFAQBCAVYRCVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4/c1-28(2,3)34-27(33)22-14-12-19(16-24(22)30-26(32)20-7-5-4-6-8-20)10-9-18-11-13-21-17-25(31)29-23(21)15-18/h4-16H,17H2,1-3H3,(H,29,31)(H,30,32).
What are the key properties of tert-butyl 2-benzamido-4-[2-(2-oxo-1,3-dihydroindol-6-yl)ethenyl]benzoate?
tert-butyl 2-benzamido-4-[2-(2-oxo-1,3-dihydroindol-6-yl)ethenyl]benzoate has a molecular weight of 454.53 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-benzamido-4-[2-(2-oxo-1,3-dihydroindol-6-yl)ethenyl]benzoate is sourced from PubChem (CID 67343578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).