tert-butyl 2-(phenylcarbamoyl)-2,3-dihydroindole-1-carboxylate

C20H22N2O3 — CID 46214117

IUPACtert-butyl 2-(phenylcarbamoyl)-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1c2ccccc2CC1C(=O)Nc1ccccc1
InChIInChI=1S/C20H22N2O3/c1-20(2,3)25-19(24)22-16-12-8-7-9-14(16)13-17(22)18(23)21-15-10-5-4-6-11-15/h4-12,17H,13H2,1-3H3,(H,21,23)
InChIKeyFHWSBVKMKXIGAJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.99
Rot. Bonds2

About tert-butyl 2-(phenylcarbamoyl)-2,3-dihydroindole-1-carboxylate

tert-butyl 2-(phenylcarbamoyl)-2,3-dihydroindole-1-carboxylate (PubChem CID 46214117) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is tert-butyl 2-(phenylcarbamoyl)-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(phenylcarbamoyl)-2,3-dihydroindole-1-carboxylate
PubChem CID46214117
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Nametert-butyl 2-(phenylcarbamoyl)-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1c2ccccc2CC1C(=O)Nc1ccccc1
InChIInChI=1S/C20H22N2O3/c1-20(2,3)25-19(24)22-16-12-8-7-9-14(16)13-17(22)18(23)21-15-10-5-4-6-11-15/h4-12,17H,13H2,1-3H3,(H,21,23)
InChIKeyFHWSBVKMKXIGAJ-UHFFFAOYSA-N
XLogP3.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(phenylcarbamoyl)-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 2-(phenylcarbamoyl)-2,3-dihydroindole-1-carboxylate (CID 46214117) is tert-butyl 2-(phenylcarbamoyl)-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(phenylcarbamoyl)-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 2-(phenylcarbamoyl)-2,3-dihydroindole-1-carboxylate is CC(C)(C)OC(=O)N1c2ccccc2CC1C(=O)Nc1ccccc1.
What is the InChIKey of tert-butyl 2-(phenylcarbamoyl)-2,3-dihydroindole-1-carboxylate?
The InChIKey is FHWSBVKMKXIGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-20(2,3)25-19(24)22-16-12-8-7-9-14(16)13-17(22)18(23)21-15-10-5-4-6-11-15/h4-12,17H,13H2,1-3H3,(H,21,23).
What are the key properties of tert-butyl 2-(phenylcarbamoyl)-2,3-dihydroindole-1-carboxylate?
tert-butyl 2-(phenylcarbamoyl)-2,3-dihydroindole-1-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(phenylcarbamoyl)-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 46214117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).