2-methyl-3-phenyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

C18H24N4O — CID 24733345

IUPAC2-methyl-3-phenyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
SMILESCC1=NC2(CCN(C(=O)NC(C)C)CC2)N=C1c1ccccc1
InChIInChI=1S/C18H24N4O/c1-13(2)19-17(23)22-11-9-18(10-12-22)20-14(3)16(21-18)15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3,(H,19,23)
InChIKeyILTURUBKQSOXGV-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.86
Rot. Bonds2

About 2-methyl-3-phenyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

2-methyl-3-phenyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide (PubChem CID 24733345) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-methyl-3-phenyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide.

Molecular Properties

Compound Name2-methyl-3-phenyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
PubChem CID24733345
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-methyl-3-phenyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
SMILESCC1=NC2(CCN(C(=O)NC(C)C)CC2)N=C1c1ccccc1
InChIInChI=1S/C18H24N4O/c1-13(2)19-17(23)22-11-9-18(10-12-22)20-14(3)16(21-18)15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3,(H,19,23)
InChIKeyILTURUBKQSOXGV-UHFFFAOYSA-N
XLogP2.86
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide?
The IUPAC name of 2-methyl-3-phenyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide (CID 24733345) is 2-methyl-3-phenyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide.
What is the SMILES notation for 2-methyl-3-phenyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide?
The canonical SMILES for 2-methyl-3-phenyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide is CC1=NC2(CCN(C(=O)NC(C)C)CC2)N=C1c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide?
The InChIKey is ILTURUBKQSOXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13(2)19-17(23)22-11-9-18(10-12-22)20-14(3)16(21-18)15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3,(H,19,23).
What are the key properties of 2-methyl-3-phenyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide?
2-methyl-3-phenyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide is sourced from PubChem (CID 24733345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).