N-[2-[[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide

C29H29N3O6 — CID 25314716

About N-[2-[[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 25314716) has the molecular formula C29H29N3O6 and a molecular weight of 515.57 g/mol. Its IUPAC name is N-[2-[[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 25314716
• Molecular Formula: C29H29N3O6
• Molecular Weight: 515.57 g/mol
• Exact Mass: 515.21
• IUPAC Name: N-[2-[[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
• SMILES: COc1ccc(CN(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NCc2ccco2)c2ccc(C)cc2)cc1
• InChI: InChI=1S/C29H29N3O6/c1-20-7-11-22(12-8-20)27(29(35)30-17-24-5-3-15-37-24)32(19-21-9-13-23(36-2)14-10-21)26(33)18-31-28(34)25-6-4-16-38-25/h3-16,27H,17-19H2,1-2H3,(H,30,35)(H,31,34)/t27-/m1/s1
• InChIKey: HOHNNTICVAUXRQ-HHHXNRCGSA-N
• XLogP: 4.01
• TPSA: 114.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.57
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-[[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-[[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 25314716) is N-[2-[[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide.

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

The canonical SMILES for N-[2-[[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide is COc1ccc(CN(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NCc2ccco2)c2ccc(C)cc2)cc1.

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

The InChIKey is HOHNNTICVAUXRQ-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H29N3O6/c1-20-7-11-22(12-8-20)27(29(35)30-17-24-5-3-15-37-24)32(19-21-9-13-23(36-2)14-10-21)26(33)18-31-28(34)25-6-4-16-38-25/h3-16,27H,17-19H2,1-2H3,(H,30,35)(H,31,34)/t27-/m1/s1.

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

N-[2-[[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 515.57 g/mol, XLogP of 4.01, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[(1R)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 25314716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).