N-[2-(N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide

C26H29N3O6 — CID 40624646

About N-[2-(N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 40624646) has the molecular formula C26H29N3O6 and a molecular weight of 479.53 g/mol. Its IUPAC name is N-[2-(N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 40624646
• Molecular Formula: C26H29N3O6
• Molecular Weight: 479.53 g/mol
• Exact Mass: 479.21
• IUPAC Name: N-[2-(N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
• SMILES: COc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2ccco2)cc1
• InChI: InChI=1S/C26H29N3O6/c1-33-20-13-11-19(12-14-20)29(23(30)17-27-25(31)22-10-6-16-35-22)24(21-9-5-15-34-21)26(32)28-18-7-3-2-4-8-18/h5-6,9-16,18,24H,2-4,7-8,17H2,1H3,(H,27,31)(H,28,32)/t24-/m0/s1
• InChIKey: QWWXEURGJBCTEQ-DEOSSOPVSA-N
• XLogP: 3.83
• TPSA: 114.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.53
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-(N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide (CID 40624646) is N-[2-(N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-(N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-(N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide is COc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2ccco2)cc1.

What is the InChIKey of N-[2-(N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide?

The InChIKey is QWWXEURGJBCTEQ-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H29N3O6/c1-33-20-13-11-19(12-14-20)29(23(30)17-27-25(31)22-10-6-16-35-22)24(21-9-5-15-34-21)26(32)28-18-7-3-2-4-8-18/h5-6,9-16,18,24H,2-4,7-8,17H2,1H3,(H,27,31)(H,28,32)/t24-/m0/s1.

What are the key properties of N-[2-(N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide?

N-[2-(N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 479.53 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 40624646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).