cyclohexyl-[(2S,4S)-4-[ethyl(methyl)amino]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

C25H38N2O2 — CID 110136126

IUPACcyclohexyl-[(2S,4S)-4-[ethyl(methyl)amino]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCCN(C)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)C3CCCCC3)CC2)C1
InChIInChI=1S/C25H38N2O2/c1-3-26(2)22-18-23(20-10-6-4-7-11-20)29-25(19-22)14-16-27(17-15-25)24(28)21-12-8-5-9-13-21/h4,6-7,10-11,21-23H,3,5,8-9,12-19H2,1-2H3/t22-,23-/m0/s1
InChIKeyQOICJMYKVYEVQI-GOTSBHOMSA-N
MW398.59 g/mol
LogP4.80
Rot. Bonds4

About cyclohexyl-[(2S,4S)-4-[ethyl(methyl)amino]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

cyclohexyl-[(2S,4S)-4-[ethyl(methyl)amino]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (PubChem CID 110136126) has the molecular formula C25H38N2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is cyclohexyl-[(2S,4S)-4-[ethyl(methyl)amino]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(2S,4S)-4-[ethyl(methyl)amino]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
PubChem CID110136126
Molecular FormulaC25H38N2O2
Molecular Weight398.59 g/mol
Exact Mass398.29
IUPAC Namecyclohexyl-[(2S,4S)-4-[ethyl(methyl)amino]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCCN(C)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)C3CCCCC3)CC2)C1
InChIInChI=1S/C25H38N2O2/c1-3-26(2)22-18-23(20-10-6-4-7-11-20)29-25(19-22)14-16-27(17-15-25)24(28)21-12-8-5-9-13-21/h4,6-7,10-11,21-23H,3,5,8-9,12-19H2,1-2H3/t22-,23-/m0/s1
InChIKeyQOICJMYKVYEVQI-GOTSBHOMSA-N
XLogP4.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.59
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,4S)-9-acetyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-ethylacetamide
CID 110136138
1-[(2S,4S)-4-[cyclopropylmethyl(ethyl)amino]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 110136168
cyclobutyl-[(3R)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124983182
N-ethyl-N-[(2S,4S)-9-(2-methylpropyl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 110136118
[(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-cyclobutylmethanone
CID 97487855
N-ethyl-N-[(2S,4S)-9-methyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide
CID 110136166
cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone
CID 90565574
1-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 154816564
(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 71668107
(2S)-6-(cyclohexanecarbonyl)-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42541635
[(2S,4S)-4-(ethylamino)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methylpyrazol-3-yl)methanone
CID 110136156
N-[3-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-oxopropyl]methanesulfonamide
CID 154821022

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2S,4S)-4-[ethyl(methyl)amino]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of cyclohexyl-[(2S,4S)-4-[ethyl(methyl)amino]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (CID 110136126) is cyclohexyl-[(2S,4S)-4-[ethyl(methyl)amino]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for cyclohexyl-[(2S,4S)-4-[ethyl(methyl)amino]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for cyclohexyl-[(2S,4S)-4-[ethyl(methyl)amino]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is CCN(C)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)C3CCCCC3)CC2)C1.
What is the InChIKey of cyclohexyl-[(2S,4S)-4-[ethyl(methyl)amino]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is QOICJMYKVYEVQI-GOTSBHOMSA-N. The full InChI is InChI=1S/C25H38N2O2/c1-3-26(2)22-18-23(20-10-6-4-7-11-20)29-25(19-22)14-16-27(17-15-25)24(28)21-12-8-5-9-13-21/h4,6-7,10-11,21-23H,3,5,8-9,12-19H2,1-2H3/t22-,23-/m0/s1.
What are the key properties of cyclohexyl-[(2S,4S)-4-[ethyl(methyl)amino]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
cyclohexyl-[(2S,4S)-4-[ethyl(methyl)amino]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 398.59 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2S,4S)-4-[ethyl(methyl)amino]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 110136126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).