8-(2-methylbenzoyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C18H23N3O3 — CID 27622469

IUPAC8-(2-methylbenzoyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCN1C(=O)NC2(CCN(C(=O)c3ccccc3C)CC2)C1=O
InChIInChI=1S/C18H23N3O3/c1-3-10-21-16(23)18(19-17(21)24)8-11-20(12-9-18)15(22)14-7-5-4-6-13(14)2/h4-7H,3,8-12H2,1-2H3,(H,19,24)
InChIKeyUQQPBFKWOZOAHD-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.93
Rot. Bonds3

About 8-(2-methylbenzoyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(2-methylbenzoyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 27622469) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 8-(2-methylbenzoyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(2-methylbenzoyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID27622469
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name8-(2-methylbenzoyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCN1C(=O)NC2(CCN(C(=O)c3ccccc3C)CC2)C1=O
InChIInChI=1S/C18H23N3O3/c1-3-10-21-16(23)18(19-17(21)24)8-11-20(12-9-18)15(22)14-7-5-4-6-13(14)2/h4-7H,3,8-12H2,1-2H3,(H,19,24)
InChIKeyUQQPBFKWOZOAHD-UHFFFAOYSA-N
XLogP1.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Thalidomide
CID 5426
Mephenytoin
CID 4060
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
Mephenytoin, (+)-
CID 107921
1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one
CID 455111
(R)-Thalidomide
CID 75792
Methetoin
CID 21908
1H-Isoindole-1,3(2H)-dione, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-
CID 453179
2-(2,5-Dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2107999
N-(2-Oxo-3-piperidyl)phthalimide
CID 135339
2,4-Imidazolidinedione, 5,5-diphenyl-3-(3-(1-piperidinyl)propyl)-
CID 3041343

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylbenzoyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(2-methylbenzoyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 27622469) is 8-(2-methylbenzoyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(2-methylbenzoyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(2-methylbenzoyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCN1C(=O)NC2(CCN(C(=O)c3ccccc3C)CC2)C1=O.
What is the InChIKey of 8-(2-methylbenzoyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is UQQPBFKWOZOAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-10-21-16(23)18(19-17(21)24)8-11-20(12-9-18)15(22)14-7-5-4-6-13(14)2/h4-7H,3,8-12H2,1-2H3,(H,19,24).
What are the key properties of 8-(2-methylbenzoyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(2-methylbenzoyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 329.40 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylbenzoyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 27622469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).