(3R,4R)-1-(4-methoxyphenyl)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione

C23H29NO5 — CID 102512903

IUPAC(3R,4R)-1-(4-methoxyphenyl)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione
SMILESCOc1ccc(N2C(=O)[C@H](O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[C@]23C=CC(=O)O3)cc1
InChIInChI=1S/C23H29NO5/c1-14(2)18-10-5-15(3)13-19(18)28-21-22(26)24(23(21)12-11-20(25)29-23)16-6-8-17(27-4)9-7-16/h6-9,11-12,14-15,18-19,21H,5,10,13H2,1-4H3/t15-,18+,19-,21+,23-/m1/s1
InChIKeyUPMXAZJLTXZBGJ-NBPJXXPNSA-N
MW399.49 g/mol
LogP3.70
Rot. Bonds5

About (3R,4R)-1-(4-methoxyphenyl)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione

(3R,4R)-1-(4-methoxyphenyl)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione (PubChem CID 102512903) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is (3R,4R)-1-(4-methoxyphenyl)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione.

Molecular Properties

Compound Name(3R,4R)-1-(4-methoxyphenyl)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione
PubChem CID102512903
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name(3R,4R)-1-(4-methoxyphenyl)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione
SMILESCOc1ccc(N2C(=O)[C@H](O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[C@]23C=CC(=O)O3)cc1
InChIInChI=1S/C23H29NO5/c1-14(2)18-10-5-15(3)13-19(18)28-21-22(26)24(23(21)12-11-20(25)29-23)16-6-8-17(27-4)9-7-16/h6-9,11-12,14-15,18-19,21H,5,10,13H2,1-4H3/t15-,18+,19-,21+,23-/m1/s1
InChIKeyUPMXAZJLTXZBGJ-NBPJXXPNSA-N
XLogP3.70
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-1-(4-methoxyphenyl)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione 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

[4-[(3R,4R)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2,6-dioxo-5-oxa-1-azaspiro[3.4]oct-7-en-1-yl]phenyl] acetate
CID 102512904
(3R,4R)-3-(2-chlorophenoxy)-1-(4-methoxyphenyl)-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione
CID 101001742
(5R,6S)-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-oxaspiro[4.5]dec-3-ene-2,8-dione
CID 15350695
1-methoxy-4-[(4-methoxyphenyl)-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzene
CID 102295766
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one
CID 3732429
(2S)-2-[(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
CID 57325346
(2R)-2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
CID 12889153
(2R)-2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
CID 12037499
[(1S,5S)-5-methyl-2-propan-2-ylcyclohexyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 144774700
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-(4-methoxyphenyl)propanoate
CID 102076289
1-methoxy-4-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]oxybenzene
CID 46702320

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(4-methoxyphenyl)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione?
The IUPAC name of (3R,4R)-1-(4-methoxyphenyl)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione (CID 102512903) is (3R,4R)-1-(4-methoxyphenyl)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione.
What is the SMILES notation for (3R,4R)-1-(4-methoxyphenyl)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione?
The canonical SMILES for (3R,4R)-1-(4-methoxyphenyl)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione is COc1ccc(N2C(=O)[C@H](O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[C@]23C=CC(=O)O3)cc1.
What is the InChIKey of (3R,4R)-1-(4-methoxyphenyl)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione?
The InChIKey is UPMXAZJLTXZBGJ-NBPJXXPNSA-N. The full InChI is InChI=1S/C23H29NO5/c1-14(2)18-10-5-15(3)13-19(18)28-21-22(26)24(23(21)12-11-20(25)29-23)16-6-8-17(27-4)9-7-16/h6-9,11-12,14-15,18-19,21H,5,10,13H2,1-4H3/t15-,18+,19-,21+,23-/m1/s1.
What are the key properties of (3R,4R)-1-(4-methoxyphenyl)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione?
(3R,4R)-1-(4-methoxyphenyl)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione has a molecular weight of 399.49 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(4-methoxyphenyl)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxa-1-azaspiro[3.4]oct-7-ene-2,6-dione is sourced from PubChem (CID 102512903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).