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

C18H26N4O2 — CID 59420064

IUPAC7,7,9,9-tetramethyl-3-(4-methylanilino)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(NN2C(=O)NC3(CC(C)(C)NC(C)(C)C3)C2=O)cc1
InChIInChI=1S/C18H26N4O2/c1-12-6-8-13(9-7-12)20-22-14(23)18(19-15(22)24)10-16(2,3)21-17(4,5)11-18/h6-9,20-21H,10-11H2,1-5H3,(H,19,24)
InChIKeyYTHNTBBQEWBACW-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.55
Rot. Bonds2

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

7,7,9,9-tetramethyl-3-(4-methylanilino)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 59420064) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 7,7,9,9-tetramethyl-3-(4-methylanilino)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name7,7,9,9-tetramethyl-3-(4-methylanilino)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID59420064
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name7,7,9,9-tetramethyl-3-(4-methylanilino)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(NN2C(=O)NC3(CC(C)(C)NC(C)(C)C3)C2=O)cc1
InChIInChI=1S/C18H26N4O2/c1-12-6-8-13(9-7-12)20-22-14(23)18(19-15(22)24)10-16(2,3)21-17(4,5)11-18/h6-9,20-21H,10-11H2,1-5H3,(H,19,24)
InChIKeyYTHNTBBQEWBACW-UHFFFAOYSA-N
XLogP2.55
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.55
H-Bond Donors ≤ 53
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 7,7,9,9-tetramethyl-3-(4-methylanilino)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 7,7,9,9-tetramethyl-3-(4-methylanilino)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 59420064) is 7,7,9,9-tetramethyl-3-(4-methylanilino)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 7,7,9,9-tetramethyl-3-(4-methylanilino)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 7,7,9,9-tetramethyl-3-(4-methylanilino)-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1ccc(NN2C(=O)NC3(CC(C)(C)NC(C)(C)C3)C2=O)cc1.
What is the InChIKey of 7,7,9,9-tetramethyl-3-(4-methylanilino)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is YTHNTBBQEWBACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12-6-8-13(9-7-12)20-22-14(23)18(19-15(22)24)10-16(2,3)21-17(4,5)11-18/h6-9,20-21H,10-11H2,1-5H3,(H,19,24).
What are the key properties of 7,7,9,9-tetramethyl-3-(4-methylanilino)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
7,7,9,9-tetramethyl-3-(4-methylanilino)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 330.43 g/mol, XLogP of 2.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,9,9-tetramethyl-3-(4-methylanilino)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 59420064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).