N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]furan-2-carboxamide

C23H23N3O4 — CID 46069600

About N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]furan-2-carboxamide

N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]furan-2-carboxamide (PubChem CID 46069600) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]furan-2-carboxamide
• PubChem CID: 46069600
• Molecular Formula: C23H23N3O4
• Molecular Weight: 405.45 g/mol
• Exact Mass: 405.17
• IUPAC Name: N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]furan-2-carboxamide
• SMILES: COc1ccccc1CN1CCCN(c2ccc(NC(=O)c3ccco3)cc2)C1=O
• InChI: InChI=1S/C23H23N3O4/c1-29-20-7-3-2-6-17(20)16-25-13-5-14-26(23(25)28)19-11-9-18(10-12-19)24-22(27)21-8-4-15-30-21/h2-4,6-12,15H,5,13-14,16H2,1H3,(H,24,27)
• InChIKey: JQRNNQZMXREAMQ-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 75.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.45
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]furan-2-carboxamide?

The IUPAC name of N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]furan-2-carboxamide (CID 46069600) is N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]furan-2-carboxamide?

The canonical SMILES for N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]furan-2-carboxamide is COc1ccccc1CN1CCCN(c2ccc(NC(=O)c3ccco3)cc2)C1=O.

What is the InChIKey of N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]furan-2-carboxamide?

The InChIKey is JQRNNQZMXREAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-29-20-7-3-2-6-17(20)16-25-13-5-14-26(23(25)28)19-11-9-18(10-12-19)24-22(27)21-8-4-15-30-21/h2-4,6-12,15H,5,13-14,16H2,1H3,(H,24,27).

What are the key properties of N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]furan-2-carboxamide?

N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]furan-2-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46069600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).