N-[4-(2-hydroxyethyl)phenyl]-3-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide

C27H29N3O3 — CID 50813992

About N-[4-(2-hydroxyethyl)phenyl]-3-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide

N-[4-(2-hydroxyethyl)phenyl]-3-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide (PubChem CID 50813992) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-3-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide.

Molecular Properties

• Compound Name: N-[4-(2-hydroxyethyl)phenyl]-3-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
• PubChem CID: 50813992
• Molecular Formula: C27H29N3O3
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.22
• IUPAC Name: N-[4-(2-hydroxyethyl)phenyl]-3-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
• SMILES: Cc1ccccc1CN1CCCN(c2cccc(C(=O)Nc3ccc(CCO)cc3)c2)C1=O
• InChI: InChI=1S/C27H29N3O3/c1-20-6-2-3-7-23(20)19-29-15-5-16-30(27(29)33)25-9-4-8-22(18-25)26(32)28-24-12-10-21(11-13-24)14-17-31/h2-4,6-13,18,31H,5,14-17,19H2,1H3,(H,28,32)
• InChIKey: VTZBFXDINKTTMP-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 72.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-3-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-3-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide (CID 50813992) is N-[4-(2-hydroxyethyl)phenyl]-3-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide.

What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-3-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-3-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide is Cc1ccccc1CN1CCCN(c2cccc(C(=O)Nc3ccc(CCO)cc3)c2)C1=O.

What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-3-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

The InChIKey is VTZBFXDINKTTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-20-6-2-3-7-23(20)19-29-15-5-16-30(27(29)33)25-9-4-8-22(18-25)26(32)28-24-12-10-21(11-13-24)14-17-31/h2-4,6-13,18,31H,5,14-17,19H2,1H3,(H,28,32).

What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-3-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

N-[4-(2-hydroxyethyl)phenyl]-3-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-hydroxyethyl)phenyl]-3-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide is sourced from PubChem (CID 50813992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).