2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-(3-methylbutan-2-yl)acetamide

C16H25N3O — CID 83212874

IUPAC2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCc1cc2c(cc1N)N(CC(=O)NC(C)C(C)C)CC2
InChIInChI=1S/C16H25N3O/c1-10(2)12(4)18-16(20)9-19-6-5-13-7-11(3)14(17)8-15(13)19/h7-8,10,12H,5-6,9,17H2,1-4H3,(H,18,20)
InChIKeyHBISMNMPKBMVJG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.10
Rot. Bonds4

About 2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-(3-methylbutan-2-yl)acetamide

2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 83212874) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
PubChem CID83212874
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCc1cc2c(cc1N)N(CC(=O)NC(C)C(C)C)CC2
InChIInChI=1S/C16H25N3O/c1-10(2)12(4)18-16(20)9-19-6-5-13-7-11(3)14(17)8-15(13)19/h7-8,10,12H,5-6,9,17H2,1-4H3,(H,18,20)
InChIKeyHBISMNMPKBMVJG-UHFFFAOYSA-N
XLogP2.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.10
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

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N-(2-oxo-1-propyl-2,3-dihydro-1H-indol-3-yl)acetamide
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Butabindide
CID 9817923
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CID 11580133
N-((4R,10aR)-4-Methyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indol-7-yl)-acetamide
CID 20824949

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-(3-methylbutan-2-yl)acetamide (CID 83212874) is 2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-(3-methylbutan-2-yl)acetamide is Cc1cc2c(cc1N)N(CC(=O)NC(C)C(C)C)CC2.
What is the InChIKey of 2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is HBISMNMPKBMVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-10(2)12(4)18-16(20)9-19-6-5-13-7-11(3)14(17)8-15(13)19/h7-8,10,12H,5-6,9,17H2,1-4H3,(H,18,20).
What are the key properties of 2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-(3-methylbutan-2-yl)acetamide?
2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 83212874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).