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

C15H19NO3 — CID 62758276

IUPACN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide
SMILESO=C(NC1c2ccccc2CC1O)C1CCCOC1
InChIInChI=1S/C15H19NO3/c17-13-8-10-4-1-2-6-12(10)14(13)16-15(18)11-5-3-7-19-9-11/h1-2,4,6,11,13-14,17H,3,5,7-9H2,(H,16,18)
InChIKeyYEZOIHUNHPGXNJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.19
Rot. Bonds2

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

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide (PubChem CID 62758276) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide
PubChem CID62758276
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide
SMILESO=C(NC1c2ccccc2CC1O)C1CCCOC1
InChIInChI=1S/C15H19NO3/c17-13-8-10-4-1-2-6-12(10)14(13)16-15(18)11-5-3-7-19-9-11/h1-2,4,6,11,13-14,17H,3,5,7-9H2,(H,16,18)
InChIKeyYEZOIHUNHPGXNJ-UHFFFAOYSA-N
XLogP1.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N*4*-Hydroxy-N*1*-(2-hydroxy-indan-1-yl)-2-isobutyl-succinamide
CID 9797144
tert-butyl N-[(2S,3S)-3-hydroxy-5-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-1-phenylpentan-2-yl]carbamate
CID 44337763
(2R)-N'-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-methylpropyl)butanediamide
CID 44341538
tert-butyl N-[(2S,3S)-3-hydroxy-5-[[(2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-1-phenylpentan-2-yl]carbamate
CID 44358846
tert-butyl N-[(2S,3S)-3-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-1-phenylpentan-2-yl]carbamate
CID 44381290
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
(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
tert-Butyl ((1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 17998891
Benzenepentanamide, N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-gamma-hydroxy-alpha-(phenylmethyl)-, (aR,gS)-
CID 5480787

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide (CID 62758276) is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide is O=C(NC1c2ccccc2CC1O)C1CCCOC1.
What is the InChIKey of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide?
The InChIKey is YEZOIHUNHPGXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-13-8-10-4-1-2-6-12(10)14(13)16-15(18)11-5-3-7-19-9-11/h1-2,4,6,11,13-14,17H,3,5,7-9H2,(H,16,18).
What are the key properties of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide?
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide is sourced from PubChem (CID 62758276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).