N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide

C17H24N2O — CID 102907607

IUPACN-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide
SMILESCC(C)C(CNC(=O)c1ccc2cc[nH]c2c1)C(C)C
InChIInChI=1S/C17H24N2O/c1-11(2)15(12(3)4)10-19-17(20)14-6-5-13-7-8-18-16(13)9-14/h5-9,11-12,15,18H,10H2,1-4H3,(H,19,20)
InChIKeyNAGZEXVIUUVTBO-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.83
Rot. Bonds5

About N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide

N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide (PubChem CID 102907607) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide
PubChem CID102907607
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide
SMILESCC(C)C(CNC(=O)c1ccc2cc[nH]c2c1)C(C)C
InChIInChI=1S/C17H24N2O/c1-11(2)15(12(3)4)10-19-17(20)14-6-5-13-7-8-18-16(13)9-14/h5-9,11-12,15,18H,10H2,1-4H3,(H,19,20)
InChIKeyNAGZEXVIUUVTBO-UHFFFAOYSA-N
XLogP3.83
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methylsulfinylpropyl)-1H-indole-6-carboxamide
CID 113336626
N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide
CID 47432269
N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide
CID 39704482
N-(2-pyrrolidin-1-ylpropyl)-1H-indole-6-carboxamide
CID 78975173
2-[(1H-indole-5-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220172
N-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
N-(3-methylbut-2-enyl)-1H-indole-6-carboxamide
CID 103528166
N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
CID 62640630
N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide
CID 55028268
N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide
CID 83040136
N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide
CID 103877617
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide
CID 102907617

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide (CID 102907607) is N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide is CC(C)C(CNC(=O)c1ccc2cc[nH]c2c1)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide?
The InChIKey is NAGZEXVIUUVTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-11(2)15(12(3)4)10-19-17(20)14-6-5-13-7-8-18-16(13)9-14/h5-9,11-12,15,18H,10H2,1-4H3,(H,19,20).
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide?
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 102907607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).