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

C14H19NO2 — CID 168788131

IUPACN-(3-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CC(O)c2ccccc21
InChIInChI=1S/C14H19NO2/c1-14(2,3)13(17)15-11-8-12(16)10-7-5-4-6-9(10)11/h4-7,11-12,16H,8H2,1-3H3,(H,15,17)
InChIKeyDSYXUPUKQXDJSW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.33
Rot. Bonds1

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

N-(3-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,2-dimethylpropanamide (PubChem CID 168788131) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,2-dimethylpropanamide
PubChem CID168788131
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(3-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CC(O)c2ccccc21
InChIInChI=1S/C14H19NO2/c1-14(2,3)13(17)15-11-8-12(16)10-7-5-4-6-9(10)11/h4-7,11-12,16H,8H2,1-3H3,(H,15,17)
InChIKeyDSYXUPUKQXDJSW-UHFFFAOYSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 28875372
2,2-dimethyl-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
CID 166867733
N-[(4S)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-2,2-dimethylpropanamide
CID 29289858
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
CID 56922214
2,2,2-trifluoro-N-[(1S,3R)-3-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]acetamide
CID 59423764
tert-butyl 3-[(2-cyano-2-methylpropanoyl)amino]-2,3-dihydro-1H-indene-1-carboxylate
CID 167784937
1-ethyl-3-[(1S,4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 54214032
(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 640582
1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one
CID 114601747
2,2,2-trifluoro-N-[(5S,7S)-7-hydroxy-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-5-yl]acetamide
CID 1485435
2-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanamide
CID 62070749
N-[(3aR,4S,8bR)-2-(2-methylbutyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2,2-dimethylpropanamide
CID 131679151

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,2-dimethylpropanamide (CID 168788131) is N-(3-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CC(O)c2ccccc21.
What is the InChIKey of N-(3-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,2-dimethylpropanamide?
The InChIKey is DSYXUPUKQXDJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,3)13(17)15-11-8-12(16)10-7-5-4-6-9(10)11/h4-7,11-12,16H,8H2,1-3H3,(H,15,17).
What are the key properties of N-(3-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,2-dimethylpropanamide?
N-(3-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,2-dimethylpropanamide has a molecular weight of 233.31 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 168788131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).