N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide

C20H28N2O3 — CID 86800410

IUPACN-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCCOC1CC(O)C12CCN(C(=O)NC1CCc3ccccc31)CC2
InChIInChI=1S/C20H28N2O3/c1-2-25-18-13-17(23)20(18)9-11-22(12-10-20)19(24)21-16-8-7-14-5-3-4-6-15(14)16/h3-6,16-18,23H,2,7-13H2,1H3,(H,21,24)
InChIKeyOJMUYQFXOAXDAC-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.64
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 86800410) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
PubChem CID86800410
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCCOC1CC(O)C12CCN(C(=O)NC1CCc3ccccc31)CC2
InChIInChI=1S/C20H28N2O3/c1-2-25-18-13-17(23)20(18)9-11-22(12-10-20)19(24)21-16-8-7-14-5-3-4-6-15(14)16/h3-6,16-18,23H,2,7-13H2,1H3,(H,21,24)
InChIKeyOJMUYQFXOAXDAC-UHFFFAOYSA-N
XLogP2.64
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,3S)-3-(2-aminoethoxy)-7-(2,3-dihydro-1H-inden-2-yl)-7-azaspiro[3.5]nonan-1-ol
CID 70716941
(1R*,3S*)-1,3-dihydroxy-N-(4-methylbenzyl)-7-azaspiro[3.5]nonane-7-carboxamide
CID 70777875
(1R*,3S*)-1-hydroxy-3-(2-hydroxyethoxy)-N-(2-methylbenzyl)-7-azaspiro[3.5]nonane-7-carboxamide
CID 72937883
3-(2,3-dihydro-1H-inden-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 75518095
N-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 91649471
3-ethoxy-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1-carboxamide
CID 47758359
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylmorpholine-4-carboxamide
CID 60267230
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxycyclohexyl)urea
CID 60573056
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylmorpholine-4-carboxamide
CID 60577740
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclopentyl]methyl]urea
CID 71868483
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[3-(oxan-4-yloxy)propyl]urea
CID 71990214
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 72001208

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide (CID 86800410) is N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide is CCOC1CC(O)C12CCN(C(=O)NC1CCc3ccccc31)CC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is OJMUYQFXOAXDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-2-25-18-13-17(23)20(18)9-11-22(12-10-20)19(24)21-16-8-7-14-5-3-4-6-15(14)16/h3-6,16-18,23H,2,7-13H2,1H3,(H,21,24).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 86800410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).