N-tert-butyl-1,6-dimethylindole-2-carboxamide

C15H20N2O — CID 110855330

IUPACN-tert-butyl-1,6-dimethylindole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NC(C)(C)C)n(C)c2c1
InChIInChI=1S/C15H20N2O/c1-10-6-7-11-9-13(17(5)12(11)8-10)14(18)16-15(2,3)4/h6-9H,1-5H3,(H,16,18)
InChIKeyVKACLTKTUJQGDY-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.02
Rot. Bonds1

About N-tert-butyl-1,6-dimethylindole-2-carboxamide

N-tert-butyl-1,6-dimethylindole-2-carboxamide (PubChem CID 110855330) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-tert-butyl-1,6-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1,6-dimethylindole-2-carboxamide
PubChem CID110855330
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-tert-butyl-1,6-dimethylindole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NC(C)(C)C)n(C)c2c1
InChIInChI=1S/C15H20N2O/c1-10-6-7-11-9-13(17(5)12(11)8-10)14(18)16-15(2,3)4/h6-9H,1-5H3,(H,16,18)
InChIKeyVKACLTKTUJQGDY-UHFFFAOYSA-N
XLogP3.02
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-1,6-dimethylindole-2-carboxamide
CID 110833571
(2S)-2-[(1,6-dimethylindole-2-carbonyl)amino]propanoic acid
CID 110835848
N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide
CID 110833567
N-(furan-2-ylmethyl)-1,6-dimethylindole-2-carboxamide
CID 110850455
1,6-dimethyl-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]indole-2-carboxamide
CID 177140188
N-[1-(methoxymethyl)cyclopentyl]-1,6-dimethylindole-2-carboxamide
CID 118793383
1,5-dimethyl-N-(4-methylphenyl)indole-2-carboxamide
CID 7329101
N-tert-butyl-7-methoxy-1-methylindole-2-carboxamide
CID 110855334
N-butyl-1,5-dimethylindole-2-carboxamide
CID 7329072
6-chloro-N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide
CID 177140163
1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide
CID 126429000
1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,6-dimethylindole-2-carboxamide?
The IUPAC name of N-tert-butyl-1,6-dimethylindole-2-carboxamide (CID 110855330) is N-tert-butyl-1,6-dimethylindole-2-carboxamide.
What is the SMILES notation for N-tert-butyl-1,6-dimethylindole-2-carboxamide?
The canonical SMILES for N-tert-butyl-1,6-dimethylindole-2-carboxamide is Cc1ccc2cc(C(=O)NC(C)(C)C)n(C)c2c1.
What is the InChIKey of N-tert-butyl-1,6-dimethylindole-2-carboxamide?
The InChIKey is VKACLTKTUJQGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-6-7-11-9-13(17(5)12(11)8-10)14(18)16-15(2,3)4/h6-9H,1-5H3,(H,16,18).
What are the key properties of N-tert-butyl-1,6-dimethylindole-2-carboxamide?
N-tert-butyl-1,6-dimethylindole-2-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,6-dimethylindole-2-carboxamide is sourced from PubChem (CID 110855330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).