2-(dimethylamino)-8-[(2R)-2-phenylpropyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C18H26N4O — CID 95046372

IUPAC2-(dimethylamino)-8-[(2R)-2-phenylpropyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESC[C@@H](CN1CCC2(CC1)N=C(N(C)C)NC2=O)c1ccccc1
InChIInChI=1S/C18H26N4O/c1-14(15-7-5-4-6-8-15)13-22-11-9-18(10-12-22)16(23)19-17(20-18)21(2)3/h4-8,14H,9-13H2,1-3H3,(H,19,20,23)/t14-/m0/s1
InChIKeyBYGDAKUAXTWGSY-AWEZNQCLSA-N
MW314.43 g/mol
LogP1.67
Rot. Bonds3

About 2-(dimethylamino)-8-[(2R)-2-phenylpropyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-(dimethylamino)-8-[(2R)-2-phenylpropyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 95046372) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(dimethylamino)-8-[(2R)-2-phenylpropyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-[(2R)-2-phenylpropyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID95046372
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-(dimethylamino)-8-[(2R)-2-phenylpropyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESC[C@@H](CN1CCC2(CC1)N=C(N(C)C)NC2=O)c1ccccc1
InChIInChI=1S/C18H26N4O/c1-14(15-7-5-4-6-8-15)13-22-11-9-18(10-12-22)16(23)19-17(20-18)21(2)3/h4-8,14H,9-13H2,1-3H3,(H,19,20,23)/t14-/m0/s1
InChIKeyBYGDAKUAXTWGSY-AWEZNQCLSA-N
XLogP1.67
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-[(2R)-2-phenylpropyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(dimethylamino)-8-[(2R)-2-phenylpropyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 95046372) is 2-(dimethylamino)-8-[(2R)-2-phenylpropyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-[(2R)-2-phenylpropyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(dimethylamino)-8-[(2R)-2-phenylpropyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is C[C@@H](CN1CCC2(CC1)N=C(N(C)C)NC2=O)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)-8-[(2R)-2-phenylpropyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is BYGDAKUAXTWGSY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14(15-7-5-4-6-8-15)13-22-11-9-18(10-12-22)16(23)19-17(20-18)21(2)3/h4-8,14H,9-13H2,1-3H3,(H,19,20,23)/t14-/m0/s1.
What are the key properties of 2-(dimethylamino)-8-[(2R)-2-phenylpropyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(dimethylamino)-8-[(2R)-2-phenylpropyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 314.43 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-[(2R)-2-phenylpropyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 95046372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).