N-(2-methylbutyl)-1H-indole-3-carboxamide

C14H18N2O — CID 62694409

IUPACN-(2-methylbutyl)-1H-indole-3-carboxamide
SMILESCCC(C)CNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O/c1-3-10(2)8-16-14(17)12-9-15-13-7-5-4-6-11(12)13/h4-7,9-10,15H,3,8H2,1-2H3,(H,16,17)
InChIKeyJSMJLNIDEPSPAC-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.94
Rot. Bonds4

About N-(2-methylbutyl)-1H-indole-3-carboxamide

N-(2-methylbutyl)-1H-indole-3-carboxamide (PubChem CID 62694409) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(2-methylbutyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylbutyl)-1H-indole-3-carboxamide
PubChem CID62694409
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(2-methylbutyl)-1H-indole-3-carboxamide
SMILESCCC(C)CNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O/c1-3-10(2)8-16-14(17)12-9-15-13-7-5-4-6-11(12)13/h4-7,9-10,15H,3,8H2,1-2H3,(H,16,17)
InChIKeyJSMJLNIDEPSPAC-UHFFFAOYSA-N
XLogP2.94
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide
CID 66109223
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799
N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide
CID 79547180
N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide
CID 64540806
N-(2-cyanopropyl)-1H-indole-3-carboxamide
CID 62651700
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603
N-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide
CID 65110571
(2S)-2-(1H-indole-3-carbonylamino)-3-methylpentanoic acid
CID 61174653
4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide
CID 114088224
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(2-methylbutyl)-1H-indole-3-carboxamide (CID 62694409) is N-(2-methylbutyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-methylbutyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-methylbutyl)-1H-indole-3-carboxamide is CCC(C)CNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(2-methylbutyl)-1H-indole-3-carboxamide?
The InChIKey is JSMJLNIDEPSPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-10(2)8-16-14(17)12-9-15-13-7-5-4-6-11(12)13/h4-7,9-10,15H,3,8H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methylbutyl)-1H-indole-3-carboxamide?
N-(2-methylbutyl)-1H-indole-3-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 62694409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).