N-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide

C15H20N2O2 — CID 65110571

IUPACN-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-3-15(19,4-2)10-17-14(18)12-9-16-13-8-6-5-7-11(12)13/h5-9,16,19H,3-4,10H2,1-2H3,(H,17,18)
InChIKeyHZRXBGFFAMDUHF-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.45
Rot. Bonds5

About N-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide

N-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide (PubChem CID 65110571) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide
PubChem CID65110571
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-3-15(19,4-2)10-17-14(18)12-9-16-13-8-6-5-7-11(12)13/h5-9,16,19H,3-4,10H2,1-2H3,(H,17,18)
InChIKeyHZRXBGFFAMDUHF-UHFFFAOYSA-N
XLogP2.45
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-2-methylsulfanylpropyl)-1H-indole-3-carboxamide
CID 115665104
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide
CID 79547180
N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 62694409
2-ethyl-2-hydroxy-1-(1H-indol-3-yl)butan-1-one
CID 129320780
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799
N-(3-ethoxypropyl)-1H-indole-3-carboxamide
CID 17474567
N-[(1-ethylcyclopentyl)methyl]-1H-indole-3-carboxamide
CID 103766558
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide
CID 66109223

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide (CID 65110571) is N-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide is CCC(O)(CC)CNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide?
The InChIKey is HZRXBGFFAMDUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-15(19,4-2)10-17-14(18)12-9-16-13-8-6-5-7-11(12)13/h5-9,16,19H,3-4,10H2,1-2H3,(H,17,18).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 65110571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).