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

C14H19NO2 — CID 168788108

IUPACN-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C14H19NO2/c1-14(2,3)13(17)15-12-10-7-5-4-6-9(10)8-11(12)16/h4-7,11-12,16H,8H2,1-3H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyRJMFNFVSNGJQJI-RYUDHWBXSA-N
MW233.31 g/mol
LogP1.81
Rot. Bonds1

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

N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpropanamide (PubChem CID 168788108) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpropanamide
PubChem CID168788108
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C14H19NO2/c1-14(2,3)13(17)15-12-10-7-5-4-6-9(10)8-11(12)16/h4-7,11-12,16H,8H2,1-3H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyRJMFNFVSNGJQJI-RYUDHWBXSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N*4*-Hydroxy-N*1*-(2-hydroxy-indan-1-yl)-2-isobutyl-succinamide
CID 9797144
1-(S)-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2-(R)-indanol
CID 10177403
(2R)-N'-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-methylpropyl)butanediamide
CID 44341538
N-(2-hydroxy-1-phenylethyl)-2,2-dimethylbutanamide
CID 55157876
rac-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 11030622
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 22874977
1-(2-hydroxypropylamino)-2,3-dihydro-1H-inden-2-ol
CID 244373
1-(R)-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2-(S)-indanol
CID 9885901
disodium;[(1R,2R)-1-(octanoylamino)-2,3-dihydro-1H-inden-2-yl] phosphate
CID 18339730
disodium;[(1R,2S)-1-(octanoylamino)-2,3-dihydro-1H-inden-2-yl] phosphate
CID 18339736
(2R,4S)-2-Benzyl-4-hydroxy-5-phenyl-pentanoic acid ((1S,2R)-2-hydroxy-indan-1-yl)-amide
CID 16052381
tert-butyl N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 11021276

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpropanamide (CID 168788108) is N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N[C@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpropanamide?
The InChIKey is RJMFNFVSNGJQJI-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,3)13(17)15-12-10-7-5-4-6-9(10)8-11(12)16/h4-7,11-12,16H,8H2,1-3H3,(H,15,17)/t11-,12-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpropanamide?
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpropanamide has a molecular weight of 233.31 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 168788108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).