N-tert-butyl-2,3-dihydroindole-1-carboxamide

C13H18N2O — CID 13277271

IUPACN-tert-butyl-2,3-dihydroindole-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCc2ccccc21
InChIInChI=1S/C13H18N2O/c1-13(2,3)14-12(16)15-9-8-10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3,(H,14,16)
InChIKeyBGRHHMZUBOSINH-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.56
Rot. Bonds

About N-tert-butyl-2,3-dihydroindole-1-carboxamide

N-tert-butyl-2,3-dihydroindole-1-carboxamide (PubChem CID 13277271) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-tert-butyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2,3-dihydroindole-1-carboxamide
PubChem CID13277271
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-tert-butyl-2,3-dihydroindole-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCc2ccccc21
InChIInChI=1S/C13H18N2O/c1-13(2,3)14-12(16)15-9-8-10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3,(H,14,16)
InChIKeyBGRHHMZUBOSINH-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-tert-butyl-2,3-dihydroindole-1-carboxamide (CID 13277271) is N-tert-butyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-tert-butyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-tert-butyl-2,3-dihydroindole-1-carboxamide is CC(C)(C)NC(=O)N1CCc2ccccc21.
What is the InChIKey of N-tert-butyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is BGRHHMZUBOSINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(2,3)14-12(16)15-9-8-10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3,(H,14,16).
What are the key properties of N-tert-butyl-2,3-dihydroindole-1-carboxamide?
N-tert-butyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 13277271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).