(1R,3R,5S)-1-(hydroxymethyl)-3-methyl-2-[2-[2-(4-methylcyclohexyl)phenoxy]acetyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one

C24H34N2O5 — CID 170605620

IUPAC(1R,3R,5S)-1-(hydroxymethyl)-3-methyl-2-[2-[2-(4-methylcyclohexyl)phenoxy]acetyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one
SMILESCC1CCC(c2ccccc2OCC(=O)N2[C@H](C)C[C@@]3(COCC(=O)N3)[C@@H]2CO)CC1
InChIInChI=1S/C24H34N2O5/c1-16-7-9-18(10-8-16)19-5-3-4-6-20(19)31-14-23(29)26-17(2)11-24(21(26)12-27)15-30-13-22(28)25-24/h3-6,16-18,21,27H,7-15H2,1-2H3,(H,25,28)/t16?,17-,18?,21+,24-/m1/s1
InChIKeyIMKHQJQJQHZRTD-UXBOEWMMSA-N
MW430.55 g/mol
LogP2.23
Rot. Bonds5

About (1R,3R,5S)-1-(hydroxymethyl)-3-methyl-2-[2-[2-(4-methylcyclohexyl)phenoxy]acetyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one

(1R,3R,5S)-1-(hydroxymethyl)-3-methyl-2-[2-[2-(4-methylcyclohexyl)phenoxy]acetyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one (PubChem CID 170605620) has the molecular formula C24H34N2O5 and a molecular weight of 430.55 g/mol. Its IUPAC name is (1R,3R,5S)-1-(hydroxymethyl)-3-methyl-2-[2-[2-(4-methylcyclohexyl)phenoxy]acetyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(1R,3R,5S)-1-(hydroxymethyl)-3-methyl-2-[2-[2-(4-methylcyclohexyl)phenoxy]acetyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one
PubChem CID170605620
Molecular FormulaC24H34N2O5
Molecular Weight430.55 g/mol
Exact Mass430.25
IUPAC Name(1R,3R,5S)-1-(hydroxymethyl)-3-methyl-2-[2-[2-(4-methylcyclohexyl)phenoxy]acetyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one
SMILESCC1CCC(c2ccccc2OCC(=O)N2[C@H](C)C[C@@]3(COCC(=O)N3)[C@@H]2CO)CC1
InChIInChI=1S/C24H34N2O5/c1-16-7-9-18(10-8-16)19-5-3-4-6-20(19)31-14-23(29)26-17(2)11-24(21(26)12-27)15-30-13-22(28)25-24/h3-6,16-18,21,27H,7-15H2,1-2H3,(H,25,28)/t16?,17-,18?,21+,24-/m1/s1
InChIKeyIMKHQJQJQHZRTD-UXBOEWMMSA-N
XLogP2.23
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R,3R,5S)-1-(hydroxymethyl)-3-methyl-2-[2-[2-(4-methylcyclohexyl)phenoxy]acetyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one with MolForge

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Related Compounds

4-[2-[4-[[(1R,5S)-7-oxo-9-oxa-2,6-diazaspiro[4.5]decan-1-yl]methoxy]cyclohexyl]phenoxy]butanoic acid
CID 175966609
2,3-dimethyl-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one
CID 166107543
[2-[4-[(8-methyl-2-oxo-4-oxa-1,8-diazaspiro[5.5]undecan-7-yl)methoxy]cyclohexyl]phenyl] trifluoromethanesulfonate
CID 170605651
2-[2-(oxan-4-yl)phenoxy]acetic acid
CID 22246374
12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-triene-14,5'-morpholine]-3',10-dione
CID 174262169
benzyl (3R)-1-[[3-[2-(5-ethoxy-5-oxopentoxy)phenyl]-2-fluorophenyl]methyl]-3-methyl-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate
CID 174263006
tert-butyl (1R,5S)-1-[[4-[2-[(E)-4-ethoxy-1,1,1-trifluoro-4-oxobut-2-en-2-yl]oxyphenyl]cyclohexyl]oxymethyl]-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate
CID 175966514
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
benzyl 1-[[2-fluoro-3-[2-(trifluoromethylsulfonyloxy)phenyl]phenyl]methyl]-3-methyl-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate
CID 174263306
(2'S,6'S)-2',6'-dimethyl-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 59862923
ethyl 6-amino-5-cyano-2-methyl-4-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]-4H-pyran-3-carboxylate
CID 169391364
1-(4-methylpiperidin-1-yl)-2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 166174085

Frequently Asked Questions

What is the IUPAC name of (1R,3R,5S)-1-(hydroxymethyl)-3-methyl-2-[2-[2-(4-methylcyclohexyl)phenoxy]acetyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one?
The IUPAC name of (1R,3R,5S)-1-(hydroxymethyl)-3-methyl-2-[2-[2-(4-methylcyclohexyl)phenoxy]acetyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one (CID 170605620) is (1R,3R,5S)-1-(hydroxymethyl)-3-methyl-2-[2-[2-(4-methylcyclohexyl)phenoxy]acetyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for (1R,3R,5S)-1-(hydroxymethyl)-3-methyl-2-[2-[2-(4-methylcyclohexyl)phenoxy]acetyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one?
The canonical SMILES for (1R,3R,5S)-1-(hydroxymethyl)-3-methyl-2-[2-[2-(4-methylcyclohexyl)phenoxy]acetyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one is CC1CCC(c2ccccc2OCC(=O)N2[C@H](C)C[C@@]3(COCC(=O)N3)[C@@H]2CO)CC1.
What is the InChIKey of (1R,3R,5S)-1-(hydroxymethyl)-3-methyl-2-[2-[2-(4-methylcyclohexyl)phenoxy]acetyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one?
The InChIKey is IMKHQJQJQHZRTD-UXBOEWMMSA-N. The full InChI is InChI=1S/C24H34N2O5/c1-16-7-9-18(10-8-16)19-5-3-4-6-20(19)31-14-23(29)26-17(2)11-24(21(26)12-27)15-30-13-22(28)25-24/h3-6,16-18,21,27H,7-15H2,1-2H3,(H,25,28)/t16?,17-,18?,21+,24-/m1/s1.
What are the key properties of (1R,3R,5S)-1-(hydroxymethyl)-3-methyl-2-[2-[2-(4-methylcyclohexyl)phenoxy]acetyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one?
(1R,3R,5S)-1-(hydroxymethyl)-3-methyl-2-[2-[2-(4-methylcyclohexyl)phenoxy]acetyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one has a molecular weight of 430.55 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5S)-1-(hydroxymethyl)-3-methyl-2-[2-[2-(4-methylcyclohexyl)phenoxy]acetyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 170605620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).