tert-butyl 2-[(2-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate

C21H24N2O3 — CID 46214291

IUPACtert-butyl 2-[(2-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate
SMILESCc1ccccc1NC(=O)C1Cc2ccccc2N1C(=O)OC(C)(C)C
InChIInChI=1S/C21H24N2O3/c1-14-9-5-7-11-16(14)22-19(24)18-13-15-10-6-8-12-17(15)23(18)20(25)26-21(2,3)4/h5-12,18H,13H2,1-4H3,(H,22,24)
InChIKeyZNAZYSFHEFSLOP-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.30
Rot. Bonds2

About tert-butyl 2-[(2-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate

tert-butyl 2-[(2-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate (PubChem CID 46214291) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is tert-butyl 2-[(2-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(2-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate
PubChem CID46214291
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Nametert-butyl 2-[(2-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate
SMILESCc1ccccc1NC(=O)C1Cc2ccccc2N1C(=O)OC(C)(C)C
InChIInChI=1S/C21H24N2O3/c1-14-9-5-7-11-16(14)22-19(24)18-13-15-10-6-8-12-17(15)23(18)20(25)26-21(2,3)4/h5-12,18H,13H2,1-4H3,(H,22,24)
InChIKeyZNAZYSFHEFSLOP-UHFFFAOYSA-N
XLogP4.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 2-[(2-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate (CID 46214291) is tert-butyl 2-[(2-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(2-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(2-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate is Cc1ccccc1NC(=O)C1Cc2ccccc2N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(2-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate?
The InChIKey is ZNAZYSFHEFSLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-9-5-7-11-16(14)22-19(24)18-13-15-10-6-8-12-17(15)23(18)20(25)26-21(2,3)4/h5-12,18H,13H2,1-4H3,(H,22,24).
What are the key properties of tert-butyl 2-[(2-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate?
tert-butyl 2-[(2-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate has a molecular weight of 352.43 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 46214291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).