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

C14H19N3O — CID 43308924

IUPAC2-(6-aminoindol-1-yl)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)Cn1ccc2ccc(N)cc21
InChIInChI=1S/C14H19N3O/c1-3-10(2)16-14(18)9-17-7-6-11-4-5-12(15)8-13(11)17/h4-8,10H,3,9,15H2,1-2H3,(H,16,18)
InChIKeyCBCZKWPYHUITIK-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.14
Rot. Bonds4

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

2-(6-aminoindol-1-yl)-N-butan-2-ylacetamide (PubChem CID 43308924) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(6-aminoindol-1-yl)-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(6-aminoindol-1-yl)-N-butan-2-ylacetamide
PubChem CID43308924
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(6-aminoindol-1-yl)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)Cn1ccc2ccc(N)cc21
InChIInChI=1S/C14H19N3O/c1-3-10(2)16-14(18)9-17-7-6-11-4-5-12(15)8-13(11)17/h4-8,10H,3,9,15H2,1-2H3,(H,16,18)
InChIKeyCBCZKWPYHUITIK-UHFFFAOYSA-N
XLogP2.14
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.14
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-pentan-2-ylacetamide
CID 61490204
2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 61489016
2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
CID 47365850
2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid
CID 75117800
2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 116621827
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-[6-(4-methylphenyl)indol-1-yl]-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 59014329
N-[1-(dimethylamino)propan-2-yl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide
CID 68709137
2-(5-methylindol-1-yl)-N-pentan-2-ylacetamide
CID 116622911
N-(1-methoxypropan-2-yl)-2-[6-(methylaminomethyl)indol-1-yl]acetamide
CID 102916591
2-[[2-(6-bromoindol-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 75117669

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminoindol-1-yl)-N-butan-2-ylacetamide?
The IUPAC name of 2-(6-aminoindol-1-yl)-N-butan-2-ylacetamide (CID 43308924) is 2-(6-aminoindol-1-yl)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(6-aminoindol-1-yl)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(6-aminoindol-1-yl)-N-butan-2-ylacetamide is CCC(C)NC(=O)Cn1ccc2ccc(N)cc21.
What is the InChIKey of 2-(6-aminoindol-1-yl)-N-butan-2-ylacetamide?
The InChIKey is CBCZKWPYHUITIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-10(2)16-14(18)9-17-7-6-11-4-5-12(15)8-13(11)17/h4-8,10H,3,9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(6-aminoindol-1-yl)-N-butan-2-ylacetamide?
2-(6-aminoindol-1-yl)-N-butan-2-ylacetamide has a molecular weight of 245.33 g/mol, XLogP of 2.14, 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-butan-2-ylacetamide is sourced from PubChem (CID 43308924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).