3-[[(4R)-2,6-dioxo-4-phenyl-1,3-diazinan-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide

C26H25N3O3 — CID 93329251

IUPAC3-[[(4R)-2,6-dioxo-4-phenyl-1,3-diazinan-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2cccc(CN3C(=O)C[C@H](c4ccccc4)NC3=O)c2)c1
InChIInChI=1S/C26H25N3O3/c1-18-7-5-8-19(13-18)16-27-25(31)22-12-6-9-20(14-22)17-29-24(30)15-23(28-26(29)32)21-10-3-2-4-11-21/h2-14,23H,15-17H2,1H3,(H,27,31)(H,28,32)/t23-/m1/s1
InChIKeyPRMJAWYBFPHDAY-HSZRJFAPSA-N
MW427.50 g/mol
LogP4.11
Rot. Bonds6

About 3-[[(4R)-2,6-dioxo-4-phenyl-1,3-diazinan-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide

3-[[(4R)-2,6-dioxo-4-phenyl-1,3-diazinan-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 93329251) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 3-[[(4R)-2,6-dioxo-4-phenyl-1,3-diazinan-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[[(4R)-2,6-dioxo-4-phenyl-1,3-diazinan-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
PubChem CID93329251
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name3-[[(4R)-2,6-dioxo-4-phenyl-1,3-diazinan-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2cccc(CN3C(=O)C[C@H](c4ccccc4)NC3=O)c2)c1
InChIInChI=1S/C26H25N3O3/c1-18-7-5-8-19(13-18)16-27-25(31)22-12-6-9-20(14-22)17-29-24(30)15-23(28-26(29)32)21-10-3-2-4-11-21/h2-14,23H,15-17H2,1H3,(H,27,31)(H,28,32)/t23-/m1/s1
InChIKeyPRMJAWYBFPHDAY-HSZRJFAPSA-N
XLogP4.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4R)-2,6-dioxo-4-phenyl-1,3-diazinan-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 3-[[(4R)-2,6-dioxo-4-phenyl-1,3-diazinan-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide (CID 93329251) is 3-[[(4R)-2,6-dioxo-4-phenyl-1,3-diazinan-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-[[(4R)-2,6-dioxo-4-phenyl-1,3-diazinan-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-[[(4R)-2,6-dioxo-4-phenyl-1,3-diazinan-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide is Cc1cccc(CNC(=O)c2cccc(CN3C(=O)C[C@H](c4ccccc4)NC3=O)c2)c1.
What is the InChIKey of 3-[[(4R)-2,6-dioxo-4-phenyl-1,3-diazinan-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is PRMJAWYBFPHDAY-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-18-7-5-8-19(13-18)16-27-25(31)22-12-6-9-20(14-22)17-29-24(30)15-23(28-26(29)32)21-10-3-2-4-11-21/h2-14,23H,15-17H2,1H3,(H,27,31)(H,28,32)/t23-/m1/s1.
What are the key properties of 3-[[(4R)-2,6-dioxo-4-phenyl-1,3-diazinan-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide?
3-[[(4R)-2,6-dioxo-4-phenyl-1,3-diazinan-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 427.50 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4R)-2,6-dioxo-4-phenyl-1,3-diazinan-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 93329251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).