[(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-cyclobutylmethanone

C21H30N2O2 — CID 97487855

IUPAC[(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-cyclobutylmethanone
SMILESCN(Cc1ccccc1)[C@H]1COC2(CCN(C(=O)C3CCC3)CC2)C1
InChIInChI=1S/C21H30N2O2/c1-22(15-17-6-3-2-4-7-17)19-14-21(25-16-19)10-12-23(13-11-21)20(24)18-8-5-9-18/h2-4,6-7,18-19H,5,8-16H2,1H3/t19-/m1/s1
InChIKeyZNMUEVLUIAULHM-LJQANCHMSA-N
MW342.48 g/mol
LogP3.07
Rot. Bonds4

About [(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-cyclobutylmethanone

[(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-cyclobutylmethanone (PubChem CID 97487855) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is [(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-cyclobutylmethanone
PubChem CID97487855
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name[(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-cyclobutylmethanone
SMILESCN(Cc1ccccc1)[C@H]1COC2(CCN(C(=O)C3CCC3)CC2)C1
InChIInChI=1S/C21H30N2O2/c1-22(15-17-6-3-2-4-7-17)19-14-21(25-16-19)10-12-23(13-11-21)20(24)18-8-5-9-18/h2-4,6-7,18-19H,5,8-16H2,1H3/t19-/m1/s1
InChIKeyZNMUEVLUIAULHM-LJQANCHMSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-[(3R)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124983182
1-[(3S)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
CID 97487838
[(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-[3-(dimethylamino)phenyl]methanone
CID 97487821
[(4S)-4-[benzyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
CID 164638881
cyclopropyl-[(3R,5S)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 124818809
(3S)-N-benzyl-8-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97487801
(3S)-3-[methyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97487726
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
furan-2-yl-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97385590
2-(dimethylamino)-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110131158
furan-2-yl-[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155833282

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-cyclobutylmethanone?
The IUPAC name of [(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-cyclobutylmethanone (CID 97487855) is [(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-cyclobutylmethanone.
What is the SMILES notation for [(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-cyclobutylmethanone?
The canonical SMILES for [(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-cyclobutylmethanone is CN(Cc1ccccc1)[C@H]1COC2(CCN(C(=O)C3CCC3)CC2)C1.
What is the InChIKey of [(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-cyclobutylmethanone?
The InChIKey is ZNMUEVLUIAULHM-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-22(15-17-6-3-2-4-7-17)19-14-21(25-16-19)10-12-23(13-11-21)20(24)18-8-5-9-18/h2-4,6-7,18-19H,5,8-16H2,1H3/t19-/m1/s1.
What are the key properties of [(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-cyclobutylmethanone?
[(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-cyclobutylmethanone has a molecular weight of 342.48 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-cyclobutylmethanone is sourced from PubChem (CID 97487855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).