N-[2-methoxy-5-(phenylcarbamoyl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide

C29H28N2O7 — CID 21047451

About N-[2-methoxy-5-(phenylcarbamoyl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide

N-[2-methoxy-5-(phenylcarbamoyl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 21047451) has the molecular formula C29H28N2O7 and a molecular weight of 516.55 g/mol. Its IUPAC name is N-[2-methoxy-5-(phenylcarbamoyl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-methoxy-5-(phenylcarbamoyl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
• PubChem CID: 21047451
• Molecular Formula: C29H28N2O7
• Molecular Weight: 516.55 g/mol
• Exact Mass: 516.19
• IUPAC Name: N-[2-methoxy-5-(phenylcarbamoyl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
• SMILES: COc1cc(OC)c(Cc2ccc(C(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3OC)o2)c(OC)c1
• InChI: InChI=1S/C29H28N2O7/c1-34-21-16-26(36-3)22(27(17-21)37-4)15-20-11-13-25(38-20)29(33)31-23-14-18(10-12-24(23)35-2)28(32)30-19-8-6-5-7-9-19/h5-14,16-17H,15H2,1-4H3,(H,30,32)(H,31,33)
• InChIKey: QVVSHTBJBJLXCK-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 108.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.55
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(phenylcarbamoyl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?

The IUPAC name of N-[2-methoxy-5-(phenylcarbamoyl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide (CID 21047451) is N-[2-methoxy-5-(phenylcarbamoyl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-methoxy-5-(phenylcarbamoyl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?

The canonical SMILES for N-[2-methoxy-5-(phenylcarbamoyl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide is COc1cc(OC)c(Cc2ccc(C(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3OC)o2)c(OC)c1.

What is the InChIKey of N-[2-methoxy-5-(phenylcarbamoyl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?

The InChIKey is QVVSHTBJBJLXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O7/c1-34-21-16-26(36-3)22(27(17-21)37-4)15-20-11-13-25(38-20)29(33)31-23-14-18(10-12-24(23)35-2)28(32)30-19-8-6-5-7-9-19/h5-14,16-17H,15H2,1-4H3,(H,30,32)(H,31,33).

What are the key properties of N-[2-methoxy-5-(phenylcarbamoyl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?

N-[2-methoxy-5-(phenylcarbamoyl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 516.55 g/mol, XLogP of 5.41, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methoxy-5-(phenylcarbamoyl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21047451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).