N-methyl-2-(2-methylpropyl)-4-oxo-N-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

C19H26N4O2 — CID 50965222

IUPACN-methyl-2-(2-methylpropyl)-4-oxo-N-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCC(C)CC1=NC2(CCN(C(=O)N(C)c3ccccc3)CC2)C(=O)N1
InChIInChI=1S/C19H26N4O2/c1-14(2)13-16-20-17(24)19(21-16)9-11-23(12-10-19)18(25)22(3)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H,20,21,24)
InChIKeyLALVHTJLXMWRDG-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.65
Rot. Bonds3

About N-methyl-2-(2-methylpropyl)-4-oxo-N-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

N-methyl-2-(2-methylpropyl)-4-oxo-N-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (PubChem CID 50965222) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-methyl-2-(2-methylpropyl)-4-oxo-N-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(2-methylpropyl)-4-oxo-N-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
PubChem CID50965222
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-methyl-2-(2-methylpropyl)-4-oxo-N-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCC(C)CC1=NC2(CCN(C(=O)N(C)c3ccccc3)CC2)C(=O)N1
InChIInChI=1S/C19H26N4O2/c1-14(2)13-16-20-17(24)19(21-16)9-11-23(12-10-19)18(25)22(3)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H,20,21,24)
InChIKeyLALVHTJLXMWRDG-UHFFFAOYSA-N
XLogP2.65
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpropyl)-4-oxo-N-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The IUPAC name of N-methyl-2-(2-methylpropyl)-4-oxo-N-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (CID 50965222) is N-methyl-2-(2-methylpropyl)-4-oxo-N-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide.
What is the SMILES notation for N-methyl-2-(2-methylpropyl)-4-oxo-N-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The canonical SMILES for N-methyl-2-(2-methylpropyl)-4-oxo-N-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is CC(C)CC1=NC2(CCN(C(=O)N(C)c3ccccc3)CC2)C(=O)N1.
What is the InChIKey of N-methyl-2-(2-methylpropyl)-4-oxo-N-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The InChIKey is LALVHTJLXMWRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(2)13-16-20-17(24)19(21-16)9-11-23(12-10-19)18(25)22(3)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H,20,21,24).
What are the key properties of N-methyl-2-(2-methylpropyl)-4-oxo-N-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
N-methyl-2-(2-methylpropyl)-4-oxo-N-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpropyl)-4-oxo-N-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is sourced from PubChem (CID 50965222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).