1,3-dimethyl-8-[4-(5-methylfuran-2-yl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C21H23N3O4 — CID 131916713

IUPAC1,3-dimethyl-8-[4-(5-methylfuran-2-yl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(-c2ccc(C(=O)N3CCC4(CC3)C(=O)N(C)C(=O)N4C)cc2)o1
InChIInChI=1S/C21H23N3O4/c1-14-4-9-17(28-14)15-5-7-16(8-6-15)18(25)24-12-10-21(11-13-24)19(26)22(2)20(27)23(21)3/h4-9H,10-13H2,1-3H3
InChIKeyHUMQOCJEBGLACI-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.75
Rot. Bonds2

About 1,3-dimethyl-8-[4-(5-methylfuran-2-yl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

1,3-dimethyl-8-[4-(5-methylfuran-2-yl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 131916713) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1,3-dimethyl-8-[4-(5-methylfuran-2-yl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-8-[4-(5-methylfuran-2-yl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID131916713
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name1,3-dimethyl-8-[4-(5-methylfuran-2-yl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(-c2ccc(C(=O)N3CCC4(CC3)C(=O)N(C)C(=O)N4C)cc2)o1
InChIInChI=1S/C21H23N3O4/c1-14-4-9-17(28-14)15-5-7-16(8-6-15)18(25)24-12-10-21(11-13-24)19(26)22(2)20(27)23(21)3/h4-9H,10-13H2,1-3H3
InChIKeyHUMQOCJEBGLACI-UHFFFAOYSA-N
XLogP2.75
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70773830
1,3-dimethyl-8-(3-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27377653
8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27377648
2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72861143
8-[3-(2-fluoro-4-hydroxyphenyl)benzoyl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 169415501
1-[4-(5-methylfuran-2-yl)phenyl]ethanone
CID 5167325
(2R)-6-[4-(5-methylfuran-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 125158207
4-[3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl]benzonitrile
CID 165417513
[(3aR,5R,6R,7aS)-5-hydroxy-6-morpholin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-[4-(5-methylfuran-2-yl)phenyl]methanone
CID 172673874
N-[[3-methyl-7-[4-(5-methylfuran-2-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
CID 42340437
[4-(5-methylfuran-2-yl)phenyl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118793305
methyl 4-(5-methylfuran-2-yl)benzoate
CID 5219873

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-8-[4-(5-methylfuran-2-yl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1,3-dimethyl-8-[4-(5-methylfuran-2-yl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 131916713) is 1,3-dimethyl-8-[4-(5-methylfuran-2-yl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-8-[4-(5-methylfuran-2-yl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1,3-dimethyl-8-[4-(5-methylfuran-2-yl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1ccc(-c2ccc(C(=O)N3CCC4(CC3)C(=O)N(C)C(=O)N4C)cc2)o1.
What is the InChIKey of 1,3-dimethyl-8-[4-(5-methylfuran-2-yl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is HUMQOCJEBGLACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14-4-9-17(28-14)15-5-7-16(8-6-15)18(25)24-12-10-21(11-13-24)19(26)22(2)20(27)23(21)3/h4-9H,10-13H2,1-3H3.
What are the key properties of 1,3-dimethyl-8-[4-(5-methylfuran-2-yl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1,3-dimethyl-8-[4-(5-methylfuran-2-yl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 381.43 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-8-[4-(5-methylfuran-2-yl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 131916713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).