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

C26H25N3O3 — CID 42851590

IUPAC3-[(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)methyl]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(CN2C(=O)CC(c3ccccc3)NC2=O)c1)c1ccccc1
InChIInChI=1S/C26H25N3O3/c1-18(20-10-4-2-5-11-20)27-25(31)22-14-8-9-19(15-22)17-29-24(30)16-23(28-26(29)32)21-12-6-3-7-13-21/h2-15,18,23H,16-17H2,1H3,(H,27,31)(H,28,32)
InChIKeyVXYAOBQREZNNCP-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.36
Rot. Bonds6

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

3-[(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)methyl]-N-(1-phenylethyl)benzamide (PubChem CID 42851590) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 3-[(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)methyl]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)methyl]-N-(1-phenylethyl)benzamide
PubChem CID42851590
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name3-[(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)methyl]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(CN2C(=O)CC(c3ccccc3)NC2=O)c1)c1ccccc1
InChIInChI=1S/C26H25N3O3/c1-18(20-10-4-2-5-11-20)27-25(31)22-14-8-9-19(15-22)17-29-24(30)16-23(28-26(29)32)21-12-6-3-7-13-21/h2-15,18,23H,16-17H2,1H3,(H,27,31)(H,28,32)
InChIKeyVXYAOBQREZNNCP-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)methyl]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)methyl]-N-(1-phenylethyl)benzamide (CID 42851590) is 3-[(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)methyl]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)methyl]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)methyl]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1cccc(CN2C(=O)CC(c3ccccc3)NC2=O)c1)c1ccccc1.
What is the InChIKey of 3-[(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)methyl]-N-(1-phenylethyl)benzamide?
The InChIKey is VXYAOBQREZNNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-18(20-10-4-2-5-11-20)27-25(31)22-14-8-9-19(15-22)17-29-24(30)16-23(28-26(29)32)21-12-6-3-7-13-21/h2-15,18,23H,16-17H2,1H3,(H,27,31)(H,28,32).
What are the key properties of 3-[(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)methyl]-N-(1-phenylethyl)benzamide?
3-[(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)methyl]-N-(1-phenylethyl)benzamide has a molecular weight of 427.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)methyl]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 42851590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).