2-(6-aminoindol-1-yl)-N-pentan-2-ylacetamide

C15H21N3O — CID 61490204

IUPAC2-(6-aminoindol-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1ccc2ccc(N)cc21
InChIInChI=1S/C15H21N3O/c1-3-4-11(2)17-15(19)10-18-8-7-12-5-6-13(16)9-14(12)18/h5-9,11H,3-4,10,16H2,1-2H3,(H,17,19)
InChIKeyILENZHHQJNTZAU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.53
Rot. Bonds5

About 2-(6-aminoindol-1-yl)-N-pentan-2-ylacetamide

2-(6-aminoindol-1-yl)-N-pentan-2-ylacetamide (PubChem CID 61490204) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(6-aminoindol-1-yl)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(6-aminoindol-1-yl)-N-pentan-2-ylacetamide
PubChem CID61490204
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(6-aminoindol-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1ccc2ccc(N)cc21
InChIInChI=1S/C15H21N3O/c1-3-4-11(2)17-15(19)10-18-8-7-12-5-6-13(16)9-14(12)18/h5-9,11H,3-4,10,16H2,1-2H3,(H,17,19)
InChIKeyILENZHHQJNTZAU-UHFFFAOYSA-N
XLogP2.53
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.53
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-(3-methylbutan-2-yl)acetamide
CID 61489016
2-(5-methylindol-1-yl)-N-pentan-2-ylacetamide
CID 116622911
2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 116621827
2-[7-(aminomethyl)indol-1-yl]-N-pentan-2-ylacetamide
CID 102913404
2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
CID 47365850
2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid
CID 75117800
N-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide
CID 43163433
N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 102916880
2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide
CID 83174347
N-[1-(dimethylamino)propan-2-yl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide
CID 68709137
N-(1-methoxypropan-2-yl)-2-[6-(methylaminomethyl)indol-1-yl]acetamide
CID 102916591

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminoindol-1-yl)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(6-aminoindol-1-yl)-N-pentan-2-ylacetamide (CID 61490204) is 2-(6-aminoindol-1-yl)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(6-aminoindol-1-yl)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(6-aminoindol-1-yl)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1ccc2ccc(N)cc21.
What is the InChIKey of 2-(6-aminoindol-1-yl)-N-pentan-2-ylacetamide?
The InChIKey is ILENZHHQJNTZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-4-11(2)17-15(19)10-18-8-7-12-5-6-13(16)9-14(12)18/h5-9,11H,3-4,10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(6-aminoindol-1-yl)-N-pentan-2-ylacetamide?
2-(6-aminoindol-1-yl)-N-pentan-2-ylacetamide has a molecular weight of 259.35 g/mol, XLogP of 2.53, 5 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-pentan-2-ylacetamide is sourced from PubChem (CID 61490204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).