6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide

C16H23N3O — CID 79471867

IUPAC6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide
SMILESCCC(C)CN(CC)C(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C16H23N3O/c1-4-11(3)10-19(5-2)16(20)14-9-18-15-8-12(17)6-7-13(14)15/h6-9,11,18H,4-5,10,17H2,1-3H3
InChIKeyJGABZAXJDNOLMV-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.26
Rot. Bonds5

About 6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide

6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide (PubChem CID 79471867) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide
PubChem CID79471867
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide
SMILESCCC(C)CN(CC)C(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C16H23N3O/c1-4-11(3)10-19(5-2)16(20)14-9-18-15-8-12(17)6-7-13(14)15/h6-9,11,18H,4-5,10,17H2,1-3H3
InChIKeyJGABZAXJDNOLMV-UHFFFAOYSA-N
XLogP3.26
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide
CID 62334013
6-amino-N,N-bis(cyanomethyl)-1H-indole-3-carboxamide
CID 61090071
6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide
CID 61094974
5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide
CID 79478168
6-amino-N-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-3-carboxamide
CID 63694066
6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide
CID 61469066
6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide
CID 61138342
6-amino-N,N-bis(2-cyanoethyl)-1H-indole-3-carboxamide
CID 61116492
5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide
CID 79383870
2-methylpentyl 6-amino-1H-indole-3-carboxylate
CID 103284577
methyl 2-[(5-amino-1H-indole-3-carbonyl)-ethylamino]acetate
CID 63116714
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide
CID 107211217

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide (CID 79471867) is 6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide is CCC(C)CN(CC)C(=O)c1c[nH]c2cc(N)ccc12.
What is the InChIKey of 6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide?
The InChIKey is JGABZAXJDNOLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-11(3)10-19(5-2)16(20)14-9-18-15-8-12(17)6-7-13(14)15/h6-9,11,18H,4-5,10,17H2,1-3H3.
What are the key properties of 6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide?
6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 79471867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).