2-(cyclohexen-1-yl)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone

C20H33NO3 — CID 118738883

IUPAC2-(cyclohexen-1-yl)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
SMILESCCOCC1COCCC12CCN(C(=O)CC1=CCCCC1)CC2
InChIInChI=1S/C20H33NO3/c1-2-23-15-18-16-24-13-10-20(18)8-11-21(12-9-20)19(22)14-17-6-4-3-5-7-17/h6,18H,2-5,7-16H2,1H3
InChIKeyPCGDHOKVRCIRQG-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.56
Rot. Bonds5

About 2-(cyclohexen-1-yl)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone

2-(cyclohexen-1-yl)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone (PubChem CID 118738883) has the molecular formula C20H33NO3 and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
PubChem CID118738883
Molecular FormulaC20H33NO3
Molecular Weight335.49 g/mol
Exact Mass335.25
IUPAC Name2-(cyclohexen-1-yl)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
SMILESCCOCC1COCCC12CCN(C(=O)CC1=CCCCC1)CC2
InChIInChI=1S/C20H33NO3/c1-2-23-15-18-16-24-13-10-20(18)8-11-21(12-9-20)19(22)14-17-6-4-3-5-7-17/h6,18H,2-5,7-16H2,1H3
InChIKeyPCGDHOKVRCIRQG-UHFFFAOYSA-N
XLogP3.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 118738872
cyclohexen-1-yl-[(5R)-5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97418659
2-(dimethylamino)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 131644047
1-[(5S)-5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one
CID 97418632
6-[2-(cyclohexen-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175104
ethyl 4-[[6-[2-(cyclohexen-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 45240534
2-(cyclohexen-1-yl)-1-[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 124795904
2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80707162
[(5S)-5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone
CID 97474457
2-(cyclohexen-1-yl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727391
2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406333
2-(cyclohexen-1-yl)-1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone
CID 127892280

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone (CID 118738883) is 2-(cyclohexen-1-yl)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone is CCOCC1COCCC12CCN(C(=O)CC1=CCCCC1)CC2.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The InChIKey is PCGDHOKVRCIRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO3/c1-2-23-15-18-16-24-13-10-20(18)8-11-21(12-9-20)19(22)14-17-6-4-3-5-7-17/h6,18H,2-5,7-16H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
2-(cyclohexen-1-yl)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone has a molecular weight of 335.49 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone is sourced from PubChem (CID 118738883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).