(5S,9S)-3-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

C24H34N2O5 — CID 25479992

IUPAC(5S,9S)-3-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC=CCc1ccc(OC[C@H](O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(OC)c1
InChIInChI=1S/C24H34N2O5/c1-6-7-17-8-9-19(20(10-17)30-5)31-14-18(27)13-26-21(28)24(25-22(26)29)12-16(2)11-23(3,4)15-24/h6,8-10,16,18,27H,1,7,11-15H2,2-5H3,(H,25,29)/t16-,18+,24-/m0/s1
InChIKeyLDOBSANNDYSFBP-GXYVPTEVSA-N
MW430.55 g/mol
LogP3.30
Rot. Bonds8

About (5S,9S)-3-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

(5S,9S)-3-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 25479992) has the molecular formula C24H34N2O5 and a molecular weight of 430.55 g/mol. Its IUPAC name is (5S,9S)-3-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5S,9S)-3-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID25479992
Molecular FormulaC24H34N2O5
Molecular Weight430.55 g/mol
Exact Mass430.25
IUPAC Name(5S,9S)-3-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC=CCc1ccc(OC[C@H](O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(OC)c1
InChIInChI=1S/C24H34N2O5/c1-6-7-17-8-9-19(20(10-17)30-5)31-14-18(27)13-26-21(28)24(25-22(26)29)12-16(2)11-23(3,4)15-24/h6,8-10,16,18,27H,1,7,11-15H2,2-5H3,(H,25,29)/t16-,18+,24-/m0/s1
InChIKeyLDOBSANNDYSFBP-GXYVPTEVSA-N
XLogP3.30
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-ethyl-3-[(2S)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 26011684
3-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 95352235
(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-(2-methoxy-4-prop-2-enylphenoxy)propan-2-ol
CID 7120868
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41087765
(2R)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 2370312
hydron;1-(2-methoxy-4-prop-2-enylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;chloride
CID 2997672
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxy-4-prop-2-enylphenoxy)propan-2-ol dichloride
CID 21237632
3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17412187
2-[(2S)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile
CID 25480925
N-(2-methoxy-5-methylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579596
3-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 750544
N-(3-chloro-4-methoxyphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7934827

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-3-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5S,9S)-3-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 25479992) is (5S,9S)-3-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5S,9S)-3-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5S,9S)-3-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is C=CCc1ccc(OC[C@H](O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(OC)c1.
What is the InChIKey of (5S,9S)-3-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is LDOBSANNDYSFBP-GXYVPTEVSA-N. The full InChI is InChI=1S/C24H34N2O5/c1-6-7-17-8-9-19(20(10-17)30-5)31-14-18(27)13-26-21(28)24(25-22(26)29)12-16(2)11-23(3,4)15-24/h6,8-10,16,18,27H,1,7,11-15H2,2-5H3,(H,25,29)/t16-,18+,24-/m0/s1.
What are the key properties of (5S,9S)-3-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
(5S,9S)-3-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 430.55 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-3-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 25479992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).