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

C20H28N2O3 — CID 99718077

IUPAC(1S,3R)-N-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCCO[C@@H]1C[C@H](O)C12CCN(C(=O)NC1Cc3ccccc3C1)CC2
InChIInChI=1S/C20H28N2O3/c1-2-25-18-13-17(23)20(18)7-9-22(10-8-20)19(24)21-16-11-14-5-3-4-6-15(14)12-16/h3-6,16-18,23H,2,7-13H2,1H3,(H,21,24)/t17-,18+/m0/s1
InChIKeyQGYFATOFJDDODT-ZWKOTPCHSA-N
MW344.45 g/mol
LogP2.12
Rot. Bonds3

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

(1S,3R)-N-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 99718077) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is (1S,3R)-N-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name(1S,3R)-N-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
PubChem CID99718077
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name(1S,3R)-N-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCCO[C@@H]1C[C@H](O)C12CCN(C(=O)NC1Cc3ccccc3C1)CC2
InChIInChI=1S/C20H28N2O3/c1-2-25-18-13-17(23)20(18)7-9-22(10-8-20)19(24)21-16-11-14-5-3-4-6-15(14)12-16/h3-6,16-18,23H,2,7-13H2,1H3,(H,21,24)/t17-,18+/m0/s1
InChIKeyQGYFATOFJDDODT-ZWKOTPCHSA-N
XLogP2.12
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 ≤ 52.12
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*)-7-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 72884205
(1R*,3S*)-1-hydroxy-3-(2-hydroxyethoxy)-N-(2-methylbenzyl)-7-azaspiro[3.5]nonane-7-carboxamide
CID 72937883
N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide
CID 75509306
N-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 91649471
1-[2-[(2S)-4-(2,3-dihydro-1H-inden-2-yl)morpholin-2-yl]ethyl]-3-ethylurea
CID 95208028
4-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 109900332
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438431
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438434
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438729
N-[2-(4-fluoro-2-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide
CID 128853625
N-{2-[4-(2,3-dihydro-1H-inden-2-yl)morpholin-2-yl]ethyl}-N'-ethylurea
CID 56745481

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-N-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of (1S,3R)-N-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide (CID 99718077) is (1S,3R)-N-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for (1S,3R)-N-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for (1S,3R)-N-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide is CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NC1Cc3ccccc3C1)CC2.
What is the InChIKey of (1S,3R)-N-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is QGYFATOFJDDODT-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-2-25-18-13-17(23)20(18)7-9-22(10-8-20)19(24)21-16-11-14-5-3-4-6-15(14)12-16/h3-6,16-18,23H,2,7-13H2,1H3,(H,21,24)/t17-,18+/m0/s1.
What are the key properties of (1S,3R)-N-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
(1S,3R)-N-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-N-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 99718077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).