8-[(2R)-3-(4-methoxyphenyl)-2-phenylpropanoyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C24H27N3O4 — CID 92627226

IUPAC8-[(2R)-3-(4-methoxyphenyl)-2-phenylpropanoyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(C[C@@H](C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)c2ccccc2)cc1
InChIInChI=1S/C24H27N3O4/c1-26-22(29)24(25-23(26)30)12-14-27(15-13-24)21(28)20(18-6-4-3-5-7-18)16-17-8-10-19(31-2)11-9-17/h3-11,20H,12-16H2,1-2H3,(H,25,30)/t20-/m1/s1
InChIKeyHYFXKBMJUPGEEY-HXUWFJFHSA-N
MW421.50 g/mol
LogP2.56
Rot. Bonds5

About 8-[(2R)-3-(4-methoxyphenyl)-2-phenylpropanoyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(2R)-3-(4-methoxyphenyl)-2-phenylpropanoyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 92627226) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 8-[(2R)-3-(4-methoxyphenyl)-2-phenylpropanoyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(2R)-3-(4-methoxyphenyl)-2-phenylpropanoyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID92627226
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name8-[(2R)-3-(4-methoxyphenyl)-2-phenylpropanoyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(C[C@@H](C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)c2ccccc2)cc1
InChIInChI=1S/C24H27N3O4/c1-26-22(29)24(25-23(26)30)12-14-27(15-13-24)21(28)20(18-6-4-3-5-7-18)16-17-8-10-19(31-2)11-9-17/h3-11,20H,12-16H2,1-2H3,(H,25,30)/t20-/m1/s1
InChIKeyHYFXKBMJUPGEEY-HXUWFJFHSA-N
XLogP2.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-3-(4-methoxyphenyl)-2-phenylpropanoyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(2R)-3-(4-methoxyphenyl)-2-phenylpropanoyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 92627226) is 8-[(2R)-3-(4-methoxyphenyl)-2-phenylpropanoyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(2R)-3-(4-methoxyphenyl)-2-phenylpropanoyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(2R)-3-(4-methoxyphenyl)-2-phenylpropanoyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1ccc(C[C@@H](C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)c2ccccc2)cc1.
What is the InChIKey of 8-[(2R)-3-(4-methoxyphenyl)-2-phenylpropanoyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is HYFXKBMJUPGEEY-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-26-22(29)24(25-23(26)30)12-14-27(15-13-24)21(28)20(18-6-4-3-5-7-18)16-17-8-10-19(31-2)11-9-17/h3-11,20H,12-16H2,1-2H3,(H,25,30)/t20-/m1/s1.
What are the key properties of 8-[(2R)-3-(4-methoxyphenyl)-2-phenylpropanoyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(2R)-3-(4-methoxyphenyl)-2-phenylpropanoyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 421.50 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-3-(4-methoxyphenyl)-2-phenylpropanoyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 92627226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).