9-[2-(2-ethoxyethoxy)benzoyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one

C21H30N2O5 — CID 171910343

IUPAC9-[2-(2-ethoxyethoxy)benzoyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one
SMILESCCOCCOc1ccccc1C(=O)N1CCC2(CC1)CC(O)CN(C)C2=O
InChIInChI=1S/C21H30N2O5/c1-3-27-12-13-28-18-7-5-4-6-17(18)19(25)23-10-8-21(9-11-23)14-16(24)15-22(2)20(21)26/h4-7,16,24H,3,8-15H2,1-2H3
InChIKeyOUTRXOWNJBQKTI-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.55
Rot. Bonds6

About 9-[2-(2-ethoxyethoxy)benzoyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one

9-[2-(2-ethoxyethoxy)benzoyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 171910343) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is 9-[2-(2-ethoxyethoxy)benzoyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name9-[2-(2-ethoxyethoxy)benzoyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID171910343
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Name9-[2-(2-ethoxyethoxy)benzoyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one
SMILESCCOCCOc1ccccc1C(=O)N1CCC2(CC1)CC(O)CN(C)C2=O
InChIInChI=1S/C21H30N2O5/c1-3-27-12-13-28-18-7-5-4-6-17(18)19(25)23-10-8-21(9-11-23)14-16(24)15-22(2)20(21)26/h4-7,16,24H,3,8-15H2,1-2H3
InChIKeyOUTRXOWNJBQKTI-UHFFFAOYSA-N
XLogP1.55
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5R)-7-methyl-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95201542
(3S,4S)-1-[2-(2-ethoxyethoxy)benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953153
[(3aS,7aR)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[2-(2-ethoxyethoxy)phenyl]methanone
CID 133126045
4-[2-(2-ethoxyethoxy)benzoyl]morpholine-2-carboxylic acid
CID 119238984
(2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304464
3-[(3R)-1-[2-(2-ethoxyethoxy)benzoyl]piperidin-3-yl]benzoic acid
CID 97194543
(5R)-7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97129129
7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72882284
(3S)-3-benzyl-8-(2-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 124993642
[4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone
CID 4947734
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone
CID 17250136
(2S)-1-[2-(2-ethoxyethoxy)benzoyl]-N-methylpiperidine-2-carboxamide
CID 124756393

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-ethoxyethoxy)benzoyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 9-[2-(2-ethoxyethoxy)benzoyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one (CID 171910343) is 9-[2-(2-ethoxyethoxy)benzoyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 9-[2-(2-ethoxyethoxy)benzoyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 9-[2-(2-ethoxyethoxy)benzoyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one is CCOCCOc1ccccc1C(=O)N1CCC2(CC1)CC(O)CN(C)C2=O.
What is the InChIKey of 9-[2-(2-ethoxyethoxy)benzoyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is OUTRXOWNJBQKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-3-27-12-13-28-18-7-5-4-6-17(18)19(25)23-10-8-21(9-11-23)14-16(24)15-22(2)20(21)26/h4-7,16,24H,3,8-15H2,1-2H3.
What are the key properties of 9-[2-(2-ethoxyethoxy)benzoyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one?
9-[2-(2-ethoxyethoxy)benzoyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 390.48 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-ethoxyethoxy)benzoyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 171910343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).