1-ethyl-8-[(3-hydroxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C17H23N3O3 — CID 26141296

IUPAC1-ethyl-8-[(3-hydroxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(C)C(=O)C12CCN(Cc1cccc(O)c1)CC2
InChIInChI=1S/C17H23N3O3/c1-3-20-16(23)18(2)15(22)17(20)7-9-19(10-8-17)12-13-5-4-6-14(21)11-13/h4-6,11,21H,3,7-10,12H2,1-2H3
InChIKeyJHURXNRCUDYPDN-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.64
Rot. Bonds3

About 1-ethyl-8-[(3-hydroxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-ethyl-8-[(3-hydroxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26141296) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-ethyl-8-[(3-hydroxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-ethyl-8-[(3-hydroxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26141296
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-ethyl-8-[(3-hydroxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(C)C(=O)C12CCN(Cc1cccc(O)c1)CC2
InChIInChI=1S/C17H23N3O3/c1-3-20-16(23)18(2)15(22)17(20)7-9-19(10-8-17)12-13-5-4-6-14(21)11-13/h4-6,11,21H,3,7-10,12H2,1-2H3
InChIKeyJHURXNRCUDYPDN-UHFFFAOYSA-N
XLogP1.64
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.64
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 1-ethyl-8-[(3-hydroxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-ethyl-8-[(3-hydroxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26141296) is 1-ethyl-8-[(3-hydroxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-ethyl-8-[(3-hydroxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-ethyl-8-[(3-hydroxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)N(C)C(=O)C12CCN(Cc1cccc(O)c1)CC2.
What is the InChIKey of 1-ethyl-8-[(3-hydroxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is JHURXNRCUDYPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-20-16(23)18(2)15(22)17(20)7-9-19(10-8-17)12-13-5-4-6-14(21)11-13/h4-6,11,21H,3,7-10,12H2,1-2H3.
What are the key properties of 1-ethyl-8-[(3-hydroxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-ethyl-8-[(3-hydroxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 317.39 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-[(3-hydroxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26141296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).