N-butyl-N-ethyl-2,3-dimethyl-1H-indole-5-carboxamide

C17H24N2O — CID 18164314

IUPACN-butyl-N-ethyl-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCCCCN(CC)C(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C17H24N2O/c1-5-7-10-19(6-2)17(20)14-8-9-16-15(11-14)12(3)13(4)18-16/h8-9,11,18H,5-7,10H2,1-4H3
InChIKeyMQDXLZBJXWPJEU-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.05
Rot. Bonds5

About N-butyl-N-ethyl-2,3-dimethyl-1H-indole-5-carboxamide

N-butyl-N-ethyl-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 18164314) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-butyl-N-ethyl-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID18164314
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-butyl-N-ethyl-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCCCCN(CC)C(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C17H24N2O/c1-5-7-10-19(6-2)17(20)14-8-9-16-15(11-14)12(3)13(4)18-16/h8-9,11,18H,5-7,10H2,1-4H3
InChIKeyMQDXLZBJXWPJEU-UHFFFAOYSA-N
XLogP4.05
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-5-carboxamide
CID 43430184
N-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 48503245
N-butyl-N-ethyl-1H-indazole-6-carboxamide
CID 55023829
N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 102684977
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 34745053
N-butyl-N-ethyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20873084
2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide
CID 61409406
N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-1H-indole-5-carboxamide
CID 34909087
methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 11344717
N-ethyl-4-hydroxy-N-tridecylbenzamide
CID 169026642
N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide
CID 78911937
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 18080433

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-butyl-N-ethyl-2,3-dimethyl-1H-indole-5-carboxamide (CID 18164314) is N-butyl-N-ethyl-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-2,3-dimethyl-1H-indole-5-carboxamide is CCCCN(CC)C(=O)c1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of N-butyl-N-ethyl-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is MQDXLZBJXWPJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-7-10-19(6-2)17(20)14-8-9-16-15(11-14)12(3)13(4)18-16/h8-9,11,18H,5-7,10H2,1-4H3.
What are the key properties of N-butyl-N-ethyl-2,3-dimethyl-1H-indole-5-carboxamide?
N-butyl-N-ethyl-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 18164314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).