3-(4-methoxyphenyl)-8-[(4-methylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one

C22H25N3O2 — CID 20962237

IUPAC3-(4-methoxyphenyl)-8-[(4-methylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one
SMILESCOc1ccc(C2=NC3(CCN(Cc4ccc(C)cc4)CC3)NC2=O)cc1
InChIInChI=1S/C22H25N3O2/c1-16-3-5-17(6-4-16)15-25-13-11-22(12-14-25)23-20(21(26)24-22)18-7-9-19(27-2)10-8-18/h3-10H,11-15H2,1-2H3,(H,24,26)
InChIKeyJRKSLWCGGVTRRE-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.91
Rot. Bonds4

About 3-(4-methoxyphenyl)-8-[(4-methylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one

3-(4-methoxyphenyl)-8-[(4-methylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one (PubChem CID 20962237) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-8-[(4-methylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-8-[(4-methylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one
PubChem CID20962237
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(4-methoxyphenyl)-8-[(4-methylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one
SMILESCOc1ccc(C2=NC3(CCN(Cc4ccc(C)cc4)CC3)NC2=O)cc1
InChIInChI=1S/C22H25N3O2/c1-16-3-5-17(6-4-16)15-25-13-11-22(12-14-25)23-20(21(26)24-22)18-7-9-19(27-2)10-8-18/h3-10H,11-15H2,1-2H3,(H,24,26)
InChIKeyJRKSLWCGGVTRRE-UHFFFAOYSA-N
XLogP2.91
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)(2-phenylacetamido)methyl]-2-phenylacetamide
CID 991033
AC-90179
CID 9799308
Cambridge id 7035693
CID 1075488
N-(1-Benzyl-4-piperidinyl)-2-(4-methoxyphenyl)acetamide
CID 3296345
(S)-N-(3-(4-(2-(4-methoxyphenyl)acetamido)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide
CID 44590584
N-(1-benzylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide
CID 2971139
N-{[1-(2,4-difluorobenzyl)piperidin-3-yl]methyl}-2-(4-methoxyphenyl)acetamide
CID 23723823
N-((1S)-3-(4-(N-ethyl-2-(4-methoxyphenyl)acetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590585
N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-(4-methoxyphenyl)acetamide
CID 15983566
N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-(4-methoxyphenyl)propanamide
CID 15983684
N-[2-(4-methoxyphenyl)ethylcarbamoyl]-4-(piperidine-1-carbonyl)benzamide
CID 117948223
N-{[1-(2-methoxybenzyl)-3-piperidinyl]methyl}-2-(4-methoxyphenyl)acetamide
CID 23724055

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-8-[(4-methylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(4-methoxyphenyl)-8-[(4-methylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one (CID 20962237) is 3-(4-methoxyphenyl)-8-[(4-methylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-8-[(4-methylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(4-methoxyphenyl)-8-[(4-methylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one is COc1ccc(C2=NC3(CCN(Cc4ccc(C)cc4)CC3)NC2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-8-[(4-methylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one?
The InChIKey is JRKSLWCGGVTRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-3-5-17(6-4-16)15-25-13-11-22(12-14-25)23-20(21(26)24-22)18-7-9-19(27-2)10-8-18/h3-10H,11-15H2,1-2H3,(H,24,26).
What are the key properties of 3-(4-methoxyphenyl)-8-[(4-methylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one?
3-(4-methoxyphenyl)-8-[(4-methylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one has a molecular weight of 363.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-8-[(4-methylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 20962237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).