3-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C19H26N2O4 — CID 26482243

IUPAC3-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(C[C@H](O)COCc1ccccc1)C2=O
InChIInChI=1S/C19H26N2O4/c1-14-7-9-19(10-8-14)17(23)21(18(24)20-19)11-16(22)13-25-12-15-5-3-2-4-6-15/h2-6,14,16,22H,7-13H2,1H3,(H,20,24)/t14?,16-,19?/m0/s1
InChIKeyMXVNIDZKQXWSHE-RCDNUKIMSA-N
MW346.43 g/mol
LogP2.06
Rot. Bonds6

About 3-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 26482243) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID26482243
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name3-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(C[C@H](O)COCc1ccccc1)C2=O
InChIInChI=1S/C19H26N2O4/c1-14-7-9-19(10-8-14)17(23)21(18(24)20-19)11-16(22)13-25-12-15-5-3-2-4-6-15/h2-6,14,16,22H,7-13H2,1H3,(H,20,24)/t14?,16-,19?/m0/s1
InChIKeyMXVNIDZKQXWSHE-RCDNUKIMSA-N
XLogP2.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.06
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-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 26482243) is 3-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(C[C@H](O)COCc1ccccc1)C2=O.
What is the InChIKey of 3-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is MXVNIDZKQXWSHE-RCDNUKIMSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14-7-9-19(10-8-14)17(23)21(18(24)20-19)11-16(22)13-25-12-15-5-3-2-4-6-15/h2-6,14,16,22H,7-13H2,1H3,(H,20,24)/t14?,16-,19?/m0/s1.
What are the key properties of 3-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 346.43 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26482243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).