N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide

C14H20N2O — CID 80565156

IUPACN-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESCCC(C)(C)NC(=O)C1CNc2ccccc21
InChIInChI=1S/C14H20N2O/c1-4-14(2,3)16-13(17)11-9-15-12-8-6-5-7-10(11)12/h5-8,11,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyOVSLDWOTGOANKB-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.50
Rot. Bonds3

About N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide

N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80565156) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80565156
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESCCC(C)(C)NC(=O)C1CNc2ccccc21
InChIInChI=1S/C14H20N2O/c1-4-14(2,3)16-13(17)11-9-15-12-8-6-5-7-10(11)12/h5-8,11,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyOVSLDWOTGOANKB-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide (CID 80565156) is N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide is CCC(C)(C)NC(=O)C1CNc2ccccc21.
What is the InChIKey of N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is OVSLDWOTGOANKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-14(2,3)16-13(17)11-9-15-12-8-6-5-7-10(11)12/h5-8,11,15H,4,9H2,1-3H3,(H,16,17).
What are the key properties of N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80565156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).