N-[2-(N-[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide

C28H27N3O6 — CID 25314664

About N-[2-(N-[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(N-[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 25314664) has the molecular formula C28H27N3O6 and a molecular weight of 501.54 g/mol. Its IUPAC name is N-[2-(N-[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(N-[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 25314664
• Molecular Formula: C28H27N3O6
• Molecular Weight: 501.54 g/mol
• Exact Mass: 501.19
• IUPAC Name: N-[2-(N-[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
• SMILES: COc1cccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NCc2ccco2)c2ccc(C)cc2)c1
• InChI: InChI=1S/C28H27N3O6/c1-19-10-12-20(13-11-19)26(28(34)29-17-23-8-4-14-36-23)31(21-6-3-7-22(16-21)35-2)25(32)18-30-27(33)24-9-5-15-37-24/h3-16,26H,17-18H2,1-2H3,(H,29,34)(H,30,33)/t26-/m1/s1
• InChIKey: CUEZMTMGWJIEFQ-AREMUKBSSA-N
• XLogP: 4.01
• TPSA: 114.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.54
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-(N-[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide (CID 25314664) is N-[2-(N-[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-(N-[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-(N-[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide is COc1cccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NCc2ccco2)c2ccc(C)cc2)c1.

What is the InChIKey of N-[2-(N-[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide?

The InChIKey is CUEZMTMGWJIEFQ-AREMUKBSSA-N. The full InChI is InChI=1S/C28H27N3O6/c1-19-10-12-20(13-11-19)26(28(34)29-17-23-8-4-14-36-23)31(21-6-3-7-22(16-21)35-2)25(32)18-30-27(33)24-9-5-15-37-24/h3-16,26H,17-18H2,1-2H3,(H,29,34)(H,30,33)/t26-/m1/s1.

What are the key properties of N-[2-(N-[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide?

N-[2-(N-[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 501.54 g/mol, XLogP of 4.01, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(N-[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 25314664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).