N-[(4-methylphenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide

C24H28N4O2 — CID 20962214

IUPACN-[(4-methylphenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCC3(CC2)N=C(c2ccc(C)cc2)C(=O)N3)cc1
InChIInChI=1S/C24H28N4O2/c1-17-3-7-19(8-4-17)15-25-21(29)16-28-13-11-24(12-14-28)26-22(23(30)27-24)20-9-5-18(2)6-10-20/h3-10H,11-16H2,1-2H3,(H,25,29)(H,27,30)
InChIKeyGMCMEHOXBHQZNO-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.33
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide

N-[(4-methylphenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide (PubChem CID 20962214) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
PubChem CID20962214
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[(4-methylphenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCC3(CC2)N=C(c2ccc(C)cc2)C(=O)N3)cc1
InChIInChI=1S/C24H28N4O2/c1-17-3-7-19(8-4-17)15-25-21(29)16-28-13-11-24(12-14-28)26-22(23(30)27-24)20-9-5-18(2)6-10-20/h3-10H,11-16H2,1-2H3,(H,25,29)(H,27,30)
InChIKeyGMCMEHOXBHQZNO-UHFFFAOYSA-N
XLogP2.33
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide (CID 20962214) is N-[(4-methylphenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide is Cc1ccc(CNC(=O)CN2CCC3(CC2)N=C(c2ccc(C)cc2)C(=O)N3)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?
The InChIKey is GMCMEHOXBHQZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-3-7-19(8-4-17)15-25-21(29)16-28-13-11-24(12-14-28)26-22(23(30)27-24)20-9-5-18(2)6-10-20/h3-10H,11-16H2,1-2H3,(H,25,29)(H,27,30).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?
N-[(4-methylphenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide has a molecular weight of 404.51 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[3-(4-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide is sourced from PubChem (CID 20962214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).