5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide

C16H23N3O2 — CID 63117353

IUPAC5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide
SMILESCC(C)CCOCCNC(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C16H23N3O2/c1-11(2)5-7-21-8-6-18-16(20)14-10-19-15-4-3-12(17)9-13(14)15/h3-4,9-11,19H,5-8,17H2,1-2H3,(H,18,20)
InChIKeyIGCYOYFSXXHOIH-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.54
Rot. Bonds7

About 5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide

5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide (PubChem CID 63117353) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide
PubChem CID63117353
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide
SMILESCC(C)CCOCCNC(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C16H23N3O2/c1-11(2)5-7-21-8-6-18-16(20)14-10-19-15-4-3-12(17)9-13(14)15/h3-4,9-11,19H,5-8,17H2,1-2H3,(H,18,20)
InChIKeyIGCYOYFSXXHOIH-UHFFFAOYSA-N
XLogP2.54
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide
CID 63118430
5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide
CID 107316240
5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide
CID 63116906
6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide
CID 63824926
ethyl 4-[(5-amino-1H-indole-3-carbonyl)amino]butanoate
CID 64581541
4-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide
CID 55041484
5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide
CID 63116873
5-amino-N-pent-4-enyl-1H-indole-3-carboxamide
CID 114264539
2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 62508898
5-amino-N-octan-2-yl-1H-indole-3-carboxamide
CID 63116814
6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide
CID 61095149
5-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1H-indole-3-carboxamide
CID 107150492

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide (CID 63117353) is 5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide is CC(C)CCOCCNC(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide?
The InChIKey is IGCYOYFSXXHOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)5-7-21-8-6-18-16(20)14-10-19-15-4-3-12(17)9-13(14)15/h3-4,9-11,19H,5-8,17H2,1-2H3,(H,18,20).
What are the key properties of 5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide?
5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 63117353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).