N-(5-tert-butyl-3H-indol-2-yl)acetamide

C14H18N2O — CID 58158263

IUPACN-(5-tert-butyl-3H-indol-2-yl)acetamide
SMILESCC(=O)NC1=Nc2ccc(C(C)(C)C)cc2C1
InChIInChI=1S/C14H18N2O/c1-9(17)15-13-8-10-7-11(14(2,3)4)5-6-12(10)16-13/h5-7H,8H2,1-4H3,(H,15,16,17)
InChIKeyBBETXRKWFKRRJI-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.71
Rot. Bonds

About N-(5-tert-butyl-3H-indol-2-yl)acetamide

N-(5-tert-butyl-3H-indol-2-yl)acetamide (PubChem CID 58158263) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(5-tert-butyl-3H-indol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-3H-indol-2-yl)acetamide
PubChem CID58158263
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(5-tert-butyl-3H-indol-2-yl)acetamide
SMILESCC(=O)NC1=Nc2ccc(C(C)(C)C)cc2C1
InChIInChI=1S/C14H18N2O/c1-9(17)15-13-8-10-7-11(14(2,3)4)5-6-12(10)16-13/h5-7H,8H2,1-4H3,(H,15,16,17)
InChIKeyBBETXRKWFKRRJI-UHFFFAOYSA-N
XLogP2.71
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-3H-indol-2-yl)acetamide?
The IUPAC name of N-(5-tert-butyl-3H-indol-2-yl)acetamide (CID 58158263) is N-(5-tert-butyl-3H-indol-2-yl)acetamide.
What is the SMILES notation for N-(5-tert-butyl-3H-indol-2-yl)acetamide?
The canonical SMILES for N-(5-tert-butyl-3H-indol-2-yl)acetamide is CC(=O)NC1=Nc2ccc(C(C)(C)C)cc2C1.
What is the InChIKey of N-(5-tert-butyl-3H-indol-2-yl)acetamide?
The InChIKey is BBETXRKWFKRRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(17)15-13-8-10-7-11(14(2,3)4)5-6-12(10)16-13/h5-7H,8H2,1-4H3,(H,15,16,17).
What are the key properties of N-(5-tert-butyl-3H-indol-2-yl)acetamide?
N-(5-tert-butyl-3H-indol-2-yl)acetamide has a molecular weight of 230.31 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-3H-indol-2-yl)acetamide is sourced from PubChem (CID 58158263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).