[3-(2-ethoxyethoxy)phenyl]-(3-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

C20H29NO4 — CID 56863583

IUPAC[3-(2-ethoxyethoxy)phenyl]-(3-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCCOCCOc1cccc(C(=O)N2CCC3(CCOCC3)CC2)c1
InChIInChI=1S/C20H29NO4/c1-2-23-14-15-25-18-5-3-4-17(16-18)19(22)21-10-6-20(7-11-21)8-12-24-13-9-20/h3-5,16H,2,6-15H2,1H3
InChIKeyZBFRMQFGEIOTQU-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.13
Rot. Bonds6

About [3-(2-ethoxyethoxy)phenyl]-(3-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

[3-(2-ethoxyethoxy)phenyl]-(3-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 56863583) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is [3-(2-ethoxyethoxy)phenyl]-(3-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name[3-(2-ethoxyethoxy)phenyl]-(3-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID56863583
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name[3-(2-ethoxyethoxy)phenyl]-(3-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCCOCCOc1cccc(C(=O)N2CCC3(CCOCC3)CC2)c1
InChIInChI=1S/C20H29NO4/c1-2-23-14-15-25-18-5-3-4-17(16-18)19(22)21-10-6-20(7-11-21)8-12-24-13-9-20/h3-5,16H,2,6-15H2,1H3
InChIKeyZBFRMQFGEIOTQU-UHFFFAOYSA-N
XLogP3.13
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
6-(3-ethoxybenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175460
N-[2-[4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)phenoxy]ethyl]acetamide
CID 56876543
[3-(2-ethoxyethoxy)phenyl]-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 135107435
N-[3-(morpholine-4-carbonyl)phenyl]-3-propoxybenzamide
CID 17205539
[3-(2-ethoxyethoxy)phenyl]-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone;formic acid
CID 154918249
3-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205535
6-[3-(2-ethoxyethoxy)benzoyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136998504
(4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone
CID 17175869
(3S)-1-[3-(2-methoxyethoxy)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 125149673
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethoxyethoxy)phenyl]-(3-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of [3-(2-ethoxyethoxy)phenyl]-(3-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 56863583) is [3-(2-ethoxyethoxy)phenyl]-(3-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for [3-(2-ethoxyethoxy)phenyl]-(3-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for [3-(2-ethoxyethoxy)phenyl]-(3-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is CCOCCOc1cccc(C(=O)N2CCC3(CCOCC3)CC2)c1.
What is the InChIKey of [3-(2-ethoxyethoxy)phenyl]-(3-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is ZBFRMQFGEIOTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-2-23-14-15-25-18-5-3-4-17(16-18)19(22)21-10-6-20(7-11-21)8-12-24-13-9-20/h3-5,16H,2,6-15H2,1H3.
What are the key properties of [3-(2-ethoxyethoxy)phenyl]-(3-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
[3-(2-ethoxyethoxy)phenyl]-(3-oxa-9-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 347.46 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethoxyethoxy)phenyl]-(3-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 56863583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).