2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide

C15H21N3O — CID 61489016

IUPAC2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cn1ccc2ccc(N)cc21
InChIInChI=1S/C15H21N3O/c1-10(2)11(3)17-15(19)9-18-7-6-12-4-5-13(16)8-14(12)18/h4-8,10-11H,9,16H2,1-3H3,(H,17,19)
InChIKeyALLYXCBXFVGCNY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.38
Rot. Bonds4

About 2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide

2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 61489016) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
PubChem CID61489016
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cn1ccc2ccc(N)cc21
InChIInChI=1S/C15H21N3O/c1-10(2)11(3)17-15(19)9-18-7-6-12-4-5-13(16)8-14(12)18/h4-8,10-11H,9,16H2,1-3H3,(H,17,19)
InChIKeyALLYXCBXFVGCNY-UHFFFAOYSA-N
XLogP2.38
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-aminoindol-1-yl)-N-butan-2-ylacetamide
CID 43308924
2-(6-aminoindol-1-yl)-N-pentan-2-ylacetamide
CID 61490204
2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 116621827
2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62023194
N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 102916880
N-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide
CID 43163433
2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
CID 47365850
2-[7-(hydroxymethyl)indol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 102912115
2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide
CID 56798550
2-[[2-(6-bromoindol-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 75117669
2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94459377
2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43299357

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide (CID 61489016) is 2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)Cn1ccc2ccc(N)cc21.
What is the InChIKey of 2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is ALLYXCBXFVGCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(2)11(3)17-15(19)9-18-7-6-12-4-5-13(16)8-14(12)18/h4-8,10-11H,9,16H2,1-3H3,(H,17,19).
What are the key properties of 2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide?
2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 259.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 61489016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).