3-(2-hydroxyethyl)-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C14H25N3O3 — CID 151331542

IUPAC3-(2-hydroxyethyl)-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(C)(C)CC2(CC1(C)C)NC(=O)N(CCO)C2=O
InChIInChI=1S/C14H25N3O3/c1-12(2)8-14(9-13(3,4)16(12)5)10(19)17(6-7-18)11(20)15-14/h18H,6-9H2,1-5H3,(H,15,20)
InChIKeyOIOGVCCDNQZACF-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.55
Rot. Bonds2

About 3-(2-hydroxyethyl)-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-(2-hydroxyethyl)-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 151331542) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID151331542
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-(2-hydroxyethyl)-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(C)(C)CC2(CC1(C)C)NC(=O)N(CCO)C2=O
InChIInChI=1S/C14H25N3O3/c1-12(2)8-14(9-13(3,4)16(12)5)10(19)17(6-7-18)11(20)15-14/h18H,6-9H2,1-5H3,(H,15,20)
InChIKeyOIOGVCCDNQZACF-UHFFFAOYSA-N
XLogP0.55
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.55
H-Bond Donors ≤ 52
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 3-(2-hydroxyethyl)-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(2-hydroxyethyl)-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 151331542) is 3-(2-hydroxyethyl)-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(2-hydroxyethyl)-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(2-hydroxyethyl)-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1C(C)(C)CC2(CC1(C)C)NC(=O)N(CCO)C2=O.
What is the InChIKey of 3-(2-hydroxyethyl)-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is OIOGVCCDNQZACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-12(2)8-14(9-13(3,4)16(12)5)10(19)17(6-7-18)11(20)15-14/h18H,6-9H2,1-5H3,(H,15,20).
What are the key properties of 3-(2-hydroxyethyl)-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-(2-hydroxyethyl)-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 283.37 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 151331542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).