N-(2-methylpentan-2-yl)-1H-indole-7-carboxamide

C15H20N2O — CID 115659861

IUPACN-(2-methylpentan-2-yl)-1H-indole-7-carboxamide
SMILESCCCC(C)(C)NC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C15H20N2O/c1-4-9-15(2,3)17-14(18)12-7-5-6-11-8-10-16-13(11)12/h5-8,10,16H,4,9H2,1-3H3,(H,17,18)
InChIKeyHASDZVFEBURSCY-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.48
Rot. Bonds4

About N-(2-methylpentan-2-yl)-1H-indole-7-carboxamide

N-(2-methylpentan-2-yl)-1H-indole-7-carboxamide (PubChem CID 115659861) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(2-methylpentan-2-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(2-methylpentan-2-yl)-1H-indole-7-carboxamide
PubChem CID115659861
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(2-methylpentan-2-yl)-1H-indole-7-carboxamide
SMILESCCCC(C)(C)NC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C15H20N2O/c1-4-9-15(2,3)17-14(18)12-7-5-6-11-8-10-16-13(11)12/h5-8,10,16H,4,9H2,1-3H3,(H,17,18)
InChIKeyHASDZVFEBURSCY-UHFFFAOYSA-N
XLogP3.48
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-1H-indole-7-carboxamide
CID 115307642
3-amino-2-hydroxy-N-(2-methylpentan-2-yl)benzamide
CID 113471534
N-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide
CID 111483563
N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide
CID 103709293
N-octan-4-yl-1H-indole-7-carboxamide
CID 106025020
N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide
CID 83030773
methyl 1H-indole-7-carboxylate;hydrochloride
CID 175318571
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-indole-7-carboxamide
CID 71917211
3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid
CID 81066304
1H-indole-7-carboxylic acid;hydrochloride
CID 67635723
tert-butyl N-[2-(1H-indol-7-yl)-2-oxoethyl]carbamate
CID 161271354
N-(2-cyclobutylethyl)-1H-indole-7-carboxamide
CID 115687252

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-2-yl)-1H-indole-7-carboxamide?
The IUPAC name of N-(2-methylpentan-2-yl)-1H-indole-7-carboxamide (CID 115659861) is N-(2-methylpentan-2-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for N-(2-methylpentan-2-yl)-1H-indole-7-carboxamide?
The canonical SMILES for N-(2-methylpentan-2-yl)-1H-indole-7-carboxamide is CCCC(C)(C)NC(=O)c1cccc2cc[nH]c12.
What is the InChIKey of N-(2-methylpentan-2-yl)-1H-indole-7-carboxamide?
The InChIKey is HASDZVFEBURSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-9-15(2,3)17-14(18)12-7-5-6-11-8-10-16-13(11)12/h5-8,10,16H,4,9H2,1-3H3,(H,17,18).
What are the key properties of N-(2-methylpentan-2-yl)-1H-indole-7-carboxamide?
N-(2-methylpentan-2-yl)-1H-indole-7-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-2-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 115659861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).