8-[2-(4-ethylphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C20H27N3O4 — CID 110493997

IUPAC8-[2-(4-ethylphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCc1ccc(OCC(=O)N2CCC3(CC2)NC(=O)N(C(C)C)C3=O)cc1
InChIInChI=1S/C20H27N3O4/c1-4-15-5-7-16(8-6-15)27-13-17(24)22-11-9-20(10-12-22)18(25)23(14(2)3)19(26)21-20/h5-8,14H,4,9-13H2,1-3H3,(H,21,26)
InChIKeyYZKHIUFWOLXWDW-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.95
Rot. Bonds5

About 8-[2-(4-ethylphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[2-(4-ethylphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 110493997) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 8-[2-(4-ethylphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[2-(4-ethylphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID110493997
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name8-[2-(4-ethylphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCc1ccc(OCC(=O)N2CCC3(CC2)NC(=O)N(C(C)C)C3=O)cc1
InChIInChI=1S/C20H27N3O4/c1-4-15-5-7-16(8-6-15)27-13-17(24)22-11-9-20(10-12-22)18(25)23(14(2)3)19(26)21-20/h5-8,14H,4,9-13H2,1-3H3,(H,21,26)
InChIKeyYZKHIUFWOLXWDW-UHFFFAOYSA-N
XLogP1.95
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-[2-(3-methoxyphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110493992
8-[2-(4-bromophenyl)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494059
8-(3-methylbutanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110493938
4-[2-(4-ethylphenoxy)acetyl]piperazine-2,6-dione
CID 66085533
2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone
CID 143724139
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone
CID 119517242
1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 110738619
2-(4-ethylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 55573955
8-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494006
2-(4-ethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026639
8-[(E)-3-(4-methylphenyl)prop-2-enoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494021
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 80706485

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-ethylphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[2-(4-ethylphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 110493997) is 8-[2-(4-ethylphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[2-(4-ethylphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[2-(4-ethylphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCc1ccc(OCC(=O)N2CCC3(CC2)NC(=O)N(C(C)C)C3=O)cc1.
What is the InChIKey of 8-[2-(4-ethylphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is YZKHIUFWOLXWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-4-15-5-7-16(8-6-15)27-13-17(24)22-11-9-20(10-12-22)18(25)23(14(2)3)19(26)21-20/h5-8,14H,4,9-13H2,1-3H3,(H,21,26).
What are the key properties of 8-[2-(4-ethylphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[2-(4-ethylphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 373.45 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-ethylphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 110493997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).