N-[(4-methoxyphenyl)methyl]-4-oxo-4-[(9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]butanamide

C23H27N3O4 — CID 131664993

About N-[(4-methoxyphenyl)methyl]-4-oxo-4-[(9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]butanamide

N-[(4-methoxyphenyl)methyl]-4-oxo-4-[(9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]butanamide (PubChem CID 131664993) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-oxo-4-[(9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]butanamide.

Molecular Properties

• Compound Name: N-[(4-methoxyphenyl)methyl]-4-oxo-4-[(9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]butanamide
• PubChem CID: 131664993
• Molecular Formula: C23H27N3O4
• Molecular Weight: 409.49 g/mol
• Exact Mass: 409.20
• IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-oxo-4-[(9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]butanamide
• SMILES: COc1ccc(CNC(=O)CCC(=O)N2CC3C[C@H](C2)Cn2c3cccc2=O)cc1
• InChI: InChI=1S/C23H27N3O4/c1-30-19-7-5-16(6-8-19)12-24-21(27)9-10-22(28)25-13-17-11-18(15-25)20-3-2-4-23(29)26(20)14-17/h2-8,17-18H,9-15H2,1H3,(H,24,27)/t17-,18?/m1/s1
• InChIKey: ZDWYGHLNVGSBOG-QNSVNVJESA-N
• XLogP: 1.90
• TPSA: 80.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.49
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-oxo-4-[(9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]butanamide?

The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-oxo-4-[(9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]butanamide (CID 131664993) is N-[(4-methoxyphenyl)methyl]-4-oxo-4-[(9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]butanamide.

What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-oxo-4-[(9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]butanamide?

The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-oxo-4-[(9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]butanamide is COc1ccc(CNC(=O)CCC(=O)N2CC3C[C@H](C2)Cn2c3cccc2=O)cc1.

What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-oxo-4-[(9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]butanamide?

The InChIKey is ZDWYGHLNVGSBOG-QNSVNVJESA-N. The full InChI is InChI=1S/C23H27N3O4/c1-30-19-7-5-16(6-8-19)12-24-21(27)9-10-22(28)25-13-17-11-18(15-25)20-3-2-4-23(29)26(20)14-17/h2-8,17-18H,9-15H2,1H3,(H,24,27)/t17-,18?/m1/s1.

What are the key properties of N-[(4-methoxyphenyl)methyl]-4-oxo-4-[(9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]butanamide?

N-[(4-methoxyphenyl)methyl]-4-oxo-4-[(9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]butanamide has a molecular weight of 409.49 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxyphenyl)methyl]-4-oxo-4-[(9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]butanamide is sourced from PubChem (CID 131664993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).