2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide

C17H25NO2 — CID 111484467

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
SMILESCC(C)C(C)(O)CNC(=O)CC1CCc2ccccc21
InChIInChI=1S/C17H25NO2/c1-12(2)17(3,20)11-18-16(19)10-14-9-8-13-6-4-5-7-15(13)14/h4-7,12,14,20H,8-11H2,1-3H3,(H,18,19)
InChIKeySZINMINHGAUOJR-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.63
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide

2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide (PubChem CID 111484467) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
PubChem CID111484467
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
SMILESCC(C)C(C)(O)CNC(=O)CC1CCc2ccccc21
InChIInChI=1S/C17H25NO2/c1-12(2)17(3,20)11-18-16(19)10-14-9-8-13-6-4-5-7-15(13)14/h4-7,12,14,20H,8-11H2,1-3H3,(H,18,19)
InChIKeySZINMINHGAUOJR-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 111436249
2-(3,4-dihydro-2H-chromen-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484603
2-(2,3-dihydro-1H-inden-1-yl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]acetamide
CID 111458418
2-(2,3-dihydro-1H-inden-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 110000645
2-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 86955228
N-[2-[[2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 95227390
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111442226
2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 77089339
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111386383
N-[(4-bromophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955694
2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 72911353
2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(dimethylamino)cyclohexyl]methyl]acetamide
CID 163312235

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide (CID 111484467) is 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide is CC(C)C(C)(O)CNC(=O)CC1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide?
The InChIKey is SZINMINHGAUOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)17(3,20)11-18-16(19)10-14-9-8-13-6-4-5-7-15(13)14/h4-7,12,14,20H,8-11H2,1-3H3,(H,18,19).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide?
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide has a molecular weight of 275.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide is sourced from PubChem (CID 111484467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).