(1R,3S)-3-ethoxy-N-(2-ethylphenyl)-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide

C19H28N2O3 — CID 99698152

IUPAC(1R,3S)-3-ethoxy-N-(2-ethylphenyl)-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCCO[C@H]1C[C@@H](O)C12CCN(C(=O)Nc1ccccc1CC)CC2
InChIInChI=1S/C19H28N2O3/c1-3-14-7-5-6-8-15(14)20-18(23)21-11-9-19(10-12-21)16(22)13-17(19)24-4-2/h5-8,16-17,22H,3-4,9-13H2,1-2H3,(H,20,23)/t16-,17+/m1/s1
InChIKeyNHGYSYFDHXRAON-SJORKVTESA-N
MW332.44 g/mol
LogP3.03
Rot. Bonds4

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

(1R,3S)-3-ethoxy-N-(2-ethylphenyl)-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 99698152) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (1R,3S)-3-ethoxy-N-(2-ethylphenyl)-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name(1R,3S)-3-ethoxy-N-(2-ethylphenyl)-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
PubChem CID99698152
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(1R,3S)-3-ethoxy-N-(2-ethylphenyl)-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCCO[C@H]1C[C@@H](O)C12CCN(C(=O)Nc1ccccc1CC)CC2
InChIInChI=1S/C19H28N2O3/c1-3-14-7-5-6-8-15(14)20-18(23)21-11-9-19(10-12-21)16(22)13-17(19)24-4-2/h5-8,16-17,22H,3-4,9-13H2,1-2H3,(H,20,23)/t16-,17+/m1/s1
InChIKeyNHGYSYFDHXRAON-SJORKVTESA-N
XLogP3.03
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N-(2-methylphenyl)propanamide
CID 111476833
[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone
CID 97216060
(1S,3S)-3-ethoxy-1-hydroxy-N-(2-thiophen-2-ylethyl)-7-azaspiro[3.5]nonane-7-carboxamide
CID 99608200
(2R)-2-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 98768023
(2R)-2-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 98768021
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone
CID 111456864
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanone
CID 97216074
(3-chlorophenyl)-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 111456862
(3-chloro-2-methylphenyl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 124627681
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone
CID 97100846
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indazol-3-yl)methanone
CID 97216094
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
CID 111456860

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-ethoxy-N-(2-ethylphenyl)-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of (1R,3S)-3-ethoxy-N-(2-ethylphenyl)-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide (CID 99698152) is (1R,3S)-3-ethoxy-N-(2-ethylphenyl)-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for (1R,3S)-3-ethoxy-N-(2-ethylphenyl)-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for (1R,3S)-3-ethoxy-N-(2-ethylphenyl)-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide is CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Nc1ccccc1CC)CC2.
What is the InChIKey of (1R,3S)-3-ethoxy-N-(2-ethylphenyl)-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is NHGYSYFDHXRAON-SJORKVTESA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-14-7-5-6-8-15(14)20-18(23)21-11-9-19(10-12-21)16(22)13-17(19)24-4-2/h5-8,16-17,22H,3-4,9-13H2,1-2H3,(H,20,23)/t16-,17+/m1/s1.
What are the key properties of (1R,3S)-3-ethoxy-N-(2-ethylphenyl)-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
(1R,3S)-3-ethoxy-N-(2-ethylphenyl)-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-ethoxy-N-(2-ethylphenyl)-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 99698152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).