cyclobutyl-[(3R)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C21H30N2O2 — CID 124983182

IUPACcyclobutyl-[(3R)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCCN(c1ccccc1)[C@H]1COC2(CCN(C(=O)C3CCC3)CC2)C1
InChIInChI=1S/C21H30N2O2/c1-2-23(18-9-4-3-5-10-18)19-15-21(25-16-19)11-13-22(14-12-21)20(24)17-7-6-8-17/h3-5,9-10,17,19H,2,6-8,11-16H2,1H3/t19-/m1/s1
InChIKeyNCDIFPAEAZEYNO-LJQANCHMSA-N
MW342.48 g/mol
LogP3.46
Rot. Bonds4

About cyclobutyl-[(3R)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

cyclobutyl-[(3R)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 124983182) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is cyclobutyl-[(3R)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(3R)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID124983182
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Namecyclobutyl-[(3R)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCCN(c1ccccc1)[C@H]1COC2(CCN(C(=O)C3CCC3)CC2)C1
InChIInChI=1S/C21H30N2O2/c1-2-23(18-9-4-3-5-10-18)19-15-21(25-16-19)11-13-22(14-12-21)20(24)17-7-6-8-17/h3-5,9-10,17,19H,2,6-8,11-16H2,1H3/t19-/m1/s1
InChIKeyNCDIFPAEAZEYNO-LJQANCHMSA-N
XLogP3.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclobutyl-[(3R)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-cyclobutylmethanone
CID 97487855
2-[(3S)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetic acid
CID 124943295
1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110131133
cyclohexyl-[(2S,4S)-4-[ethyl(methyl)amino]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 110136126
2-(dimethylamino)-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110131158
cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone
CID 90565574
(3R)-3-[benzenesulfonyl(ethyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 126505839
1-[(3S)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-pyrazol-1-ylethanone
CID 125005242
3-methoxy-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
CID 110131152
cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487110
1-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 124954639
cyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487114

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(3R)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of cyclobutyl-[(3R)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 124983182) is cyclobutyl-[(3R)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for cyclobutyl-[(3R)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for cyclobutyl-[(3R)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is CCN(c1ccccc1)[C@H]1COC2(CCN(C(=O)C3CCC3)CC2)C1.
What is the InChIKey of cyclobutyl-[(3R)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is NCDIFPAEAZEYNO-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-2-23(18-9-4-3-5-10-18)19-15-21(25-16-19)11-13-22(14-12-21)20(24)17-7-6-8-17/h3-5,9-10,17,19H,2,6-8,11-16H2,1H3/t19-/m1/s1.
What are the key properties of cyclobutyl-[(3R)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
cyclobutyl-[(3R)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 342.48 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(3R)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 124983182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).