N-cyclohexyl-5-[[6-[2-(2-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide

C29H30N2O6 — CID 42846377

About N-cyclohexyl-5-[[6-[2-(2-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide

N-cyclohexyl-5-[[6-[2-(2-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide (PubChem CID 42846377) has the molecular formula C29H30N2O6 and a molecular weight of 502.57 g/mol. Its IUPAC name is N-cyclohexyl-5-[[6-[2-(2-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-5-[[6-[2-(2-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide
• PubChem CID: 42846377
• Molecular Formula: C29H30N2O6
• Molecular Weight: 502.57 g/mol
• Exact Mass: 502.21
• IUPAC Name: N-cyclohexyl-5-[[6-[2-(2-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide
• SMILES: Cc1ccccc1OCC(=O)c1ccc2c(c1)N(Cc1ccc(C(=O)NC3CCCCC3)o1)C(=O)CO2
• InChI: InChI=1S/C29H30N2O6/c1-19-7-5-6-10-25(19)35-17-24(32)20-11-13-26-23(15-20)31(28(33)18-36-26)16-22-12-14-27(37-22)29(34)30-21-8-3-2-4-9-21/h5-7,10-15,21H,2-4,8-9,16-18H2,1H3,(H,30,34)
• InChIKey: VYXWVRHIOOIWBX-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 98.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.57
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[[6-[2-(2-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide?

The IUPAC name of N-cyclohexyl-5-[[6-[2-(2-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide (CID 42846377) is N-cyclohexyl-5-[[6-[2-(2-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide.

What is the SMILES notation for N-cyclohexyl-5-[[6-[2-(2-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide?

The canonical SMILES for N-cyclohexyl-5-[[6-[2-(2-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide is Cc1ccccc1OCC(=O)c1ccc2c(c1)N(Cc1ccc(C(=O)NC3CCCCC3)o1)C(=O)CO2.

What is the InChIKey of N-cyclohexyl-5-[[6-[2-(2-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide?

The InChIKey is VYXWVRHIOOIWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O6/c1-19-7-5-6-10-25(19)35-17-24(32)20-11-13-26-23(15-20)31(28(33)18-36-26)16-22-12-14-27(37-22)29(34)30-21-8-3-2-4-9-21/h5-7,10-15,21H,2-4,8-9,16-18H2,1H3,(H,30,34).

What are the key properties of N-cyclohexyl-5-[[6-[2-(2-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide?

N-cyclohexyl-5-[[6-[2-(2-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide has a molecular weight of 502.57 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-5-[[6-[2-(2-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 42846377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).