2,3-dimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-indole-5-carboxamide

C15H20N2O2 — CID 82725792

IUPAC2,3-dimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NOC(C)(C)C)cc2c1C
InChIInChI=1S/C15H20N2O2/c1-9-10(2)16-13-7-6-11(8-12(9)13)14(18)17-19-15(3,4)5/h6-8,16H,1-5H3,(H,17,18)
InChIKeyGAPWZMISJFIHQS-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.24
Rot. Bonds2

About 2,3-dimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-indole-5-carboxamide

2,3-dimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-indole-5-carboxamide (PubChem CID 82725792) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-indole-5-carboxamide
PubChem CID82725792
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2,3-dimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NOC(C)(C)C)cc2c1C
InChIInChI=1S/C15H20N2O2/c1-9-10(2)16-13-7-6-11(8-12(9)13)14(18)17-19-15(3,4)5/h6-8,16H,1-5H3,(H,17,18)
InChIKeyGAPWZMISJFIHQS-UHFFFAOYSA-N
XLogP3.24
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-indole-5-carboxamide (CID 82725792) is 2,3-dimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NOC(C)(C)C)cc2c1C.
What is the InChIKey of 2,3-dimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-indole-5-carboxamide?
The InChIKey is GAPWZMISJFIHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9-10(2)16-13-7-6-11(8-12(9)13)14(18)17-19-15(3,4)5/h6-8,16H,1-5H3,(H,17,18).
What are the key properties of 2,3-dimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-indole-5-carboxamide?
2,3-dimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-indole-5-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(2-methylpropan-2-yl)oxy]-1H-indole-5-carboxamide is sourced from PubChem (CID 82725792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).