2-(2-hydroxyethyl)-9-(4-hydroxy-3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H26N2O4 — CID 72936387

IUPAC2-(2-hydroxyethyl)-9-(4-hydroxy-3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(C(=O)N2CCC3(CCC(=O)N(CCO)C3)CC2)ccc1O
InChIInChI=1S/C19H26N2O4/c1-14-12-15(2-3-16(14)23)18(25)20-8-6-19(7-9-20)5-4-17(24)21(13-19)10-11-22/h2-3,12,22-23H,4-11,13H2,1H3
InChIKeyLFAFENFLOAAXPZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.54
Rot. Bonds3

About 2-(2-hydroxyethyl)-9-(4-hydroxy-3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(2-hydroxyethyl)-9-(4-hydroxy-3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72936387) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-9-(4-hydroxy-3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-9-(4-hydroxy-3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72936387
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-(2-hydroxyethyl)-9-(4-hydroxy-3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(C(=O)N2CCC3(CCC(=O)N(CCO)C3)CC2)ccc1O
InChIInChI=1S/C19H26N2O4/c1-14-12-15(2-3-16(14)23)18(25)20-8-6-19(7-9-20)5-4-17(24)21(13-19)10-11-22/h2-3,12,22-23H,4-11,13H2,1H3
InChIKeyLFAFENFLOAAXPZ-UHFFFAOYSA-N
XLogP1.54
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyethyl)-9-(3-hydroxy-4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72871813
9-(3,5-dimethoxybenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72837618
9-(3-fluoro-4-methylbenzoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72906926
9-(3-chloro-2-methylbenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72894988
9-(3-hydroxy-4-methoxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72922064
9-(3-hydroxy-4-methylbenzoyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97121278
2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone
CID 91764202
9-(3-hydroxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72905387
2-[9-(2-hydroxy-4-methylbenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
CID 72867988
2-(2-methoxyethyl)-9-(2,4,6-trimethylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72876264
9-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72869234
9-(2-hydroxy-4-methylbenzoyl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97120358

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-9-(4-hydroxy-3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-9-(4-hydroxy-3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72936387) is 2-(2-hydroxyethyl)-9-(4-hydroxy-3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-9-(4-hydroxy-3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-9-(4-hydroxy-3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1cc(C(=O)N2CCC3(CCC(=O)N(CCO)C3)CC2)ccc1O.
What is the InChIKey of 2-(2-hydroxyethyl)-9-(4-hydroxy-3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LFAFENFLOAAXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14-12-15(2-3-16(14)23)18(25)20-8-6-19(7-9-20)5-4-17(24)21(13-19)10-11-22/h2-3,12,22-23H,4-11,13H2,1H3.
What are the key properties of 2-(2-hydroxyethyl)-9-(4-hydroxy-3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxyethyl)-9-(4-hydroxy-3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 346.43 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-9-(4-hydroxy-3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72936387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).