3-benzyl-8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C18H25N3O3 — CID 26141030

IUPAC3-benzyl-8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC[C@H](CO)N1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2C
InChIInChI=1S/C18H25N3O3/c1-14(13-22)20-10-8-18(9-11-20)16(23)21(17(24)19(18)2)12-15-6-4-3-5-7-15/h3-7,14,22H,8-13H2,1-2H3/t14-/m1/s1
InChIKeyLYBWZXUZQAWWSU-CQSZACIVSA-N
MW331.42 g/mol
LogP1.30
Rot. Bonds4

About 3-benzyl-8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-benzyl-8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26141030) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-benzyl-8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-benzyl-8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26141030
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3-benzyl-8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC[C@H](CO)N1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2C
InChIInChI=1S/C18H25N3O3/c1-14(13-22)20-10-8-18(9-11-20)16(23)21(17(24)19(18)2)12-15-6-4-3-5-7-15/h3-7,14,22H,8-13H2,1-2H3/t14-/m1/s1
InChIKeyLYBWZXUZQAWWSU-CQSZACIVSA-N
XLogP1.30
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.30
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 3-benzyl-8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-benzyl-8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26141030) is 3-benzyl-8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-benzyl-8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-benzyl-8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is C[C@H](CO)N1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2C.
What is the InChIKey of 3-benzyl-8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LYBWZXUZQAWWSU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14(13-22)20-10-8-18(9-11-20)16(23)21(17(24)19(18)2)12-15-6-4-3-5-7-15/h3-7,14,22H,8-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 3-benzyl-8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-benzyl-8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 331.42 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26141030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).