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

C21H24N2O3 — CID 46214293

IUPACtert-butyl 2-[(3-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate
SMILESCc1cccc(NC(=O)C2Cc3ccccc3N2C(=O)OC(C)(C)C)c1
InChIInChI=1S/C21H24N2O3/c1-14-8-7-10-16(12-14)22-19(24)18-13-15-9-5-6-11-17(15)23(18)20(25)26-21(2,3)4/h5-12,18H,13H2,1-4H3,(H,22,24)
InChIKeyKDNOIKAVFYIBPH-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.30
Rot. Bonds2

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

tert-butyl 2-[(3-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate (PubChem CID 46214293) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is tert-butyl 2-[(3-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(3-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate
PubChem CID46214293
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Nametert-butyl 2-[(3-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate
SMILESCc1cccc(NC(=O)C2Cc3ccccc3N2C(=O)OC(C)(C)C)c1
InChIInChI=1S/C21H24N2O3/c1-14-8-7-10-16(12-14)22-19(24)18-13-15-9-5-6-11-17(15)23(18)20(25)26-21(2,3)4/h5-12,18H,13H2,1-4H3,(H,22,24)
InChIKeyKDNOIKAVFYIBPH-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-[(3-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 2-[(3-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate (CID 46214293) is tert-butyl 2-[(3-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(3-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(3-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate is Cc1cccc(NC(=O)C2Cc3ccccc3N2C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 2-[(3-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate?
The InChIKey is KDNOIKAVFYIBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-8-7-10-16(12-14)22-19(24)18-13-15-9-5-6-11-17(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-[(3-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate?
tert-butyl 2-[(3-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-[(3-methylphenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 46214293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).