N-(6-acetyl-1,3-benzodioxol-5-yl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide

C27H26N2O6 — CID 3197029

About N-(6-acetyl-1,3-benzodioxol-5-yl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide (PubChem CID 3197029) has the molecular formula C27H26N2O6 and a molecular weight of 474.51 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
• PubChem CID: 3197029
• Molecular Formula: C27H26N2O6
• Molecular Weight: 474.51 g/mol
• Exact Mass: 474.18
• IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
• SMILES: CC(=O)c1cc2c(cc1N(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccccc1)OCO2
• InChI: InChI=1S/C27H26N2O6/c1-17(30)20-14-23-24(35-16-34-23)15-21(20)29(27(32)22-12-7-13-33-22)25(18-8-3-2-4-9-18)26(31)28-19-10-5-6-11-19/h2-4,7-9,12-15,19,25H,5-6,10-11,16H2,1H3,(H,28,31)
• InChIKey: FMVJBGXRVQVQNM-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 98.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.51
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide?

The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide (CID 3197029) is N-(6-acetyl-1,3-benzodioxol-5-yl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide.

What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide?

The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide is CC(=O)c1cc2c(cc1N(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccccc1)OCO2.

What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide?

The InChIKey is FMVJBGXRVQVQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O6/c1-17(30)20-14-23-24(35-16-34-23)15-21(20)29(27(32)22-12-7-13-33-22)25(18-8-3-2-4-9-18)26(31)28-19-10-5-6-11-19/h2-4,7-9,12-15,19,25H,5-6,10-11,16H2,1H3,(H,28,31).

What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide?

N-(6-acetyl-1,3-benzodioxol-5-yl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide has a molecular weight of 474.51 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide is sourced from PubChem (CID 3197029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).