N-[2-(N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide

C26H29N3O5 — CID 3211721

About N-[2-(N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 3211721) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is N-[2-(N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 3211721
• Molecular Formula: C26H29N3O5
• Molecular Weight: 463.53 g/mol
• Exact Mass: 463.21
• IUPAC Name: N-[2-(N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide
• SMILES: Cc1cccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCCC2)c2ccco2)c1
• InChI: InChI=1S/C26H29N3O5/c1-18-8-5-11-20(16-18)29(23(30)17-27-25(31)22-13-7-15-34-22)24(21-12-6-14-33-21)26(32)28-19-9-3-2-4-10-19/h5-8,11-16,19,24H,2-4,9-10,17H2,1H3,(H,27,31)(H,28,32)
• InChIKey: KTNAIUIGCGVCOB-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 104.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.53
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-(N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide (CID 3211721) is N-[2-(N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-(N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-(N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide is Cc1cccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCCC2)c2ccco2)c1.

What is the InChIKey of N-[2-(N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide?

The InChIKey is KTNAIUIGCGVCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-18-8-5-11-20(16-18)29(23(30)17-27-25(31)22-13-7-15-34-22)24(21-12-6-14-33-21)26(32)28-19-9-3-2-4-10-19/h5-8,11-16,19,24H,2-4,9-10,17H2,1H3,(H,27,31)(H,28,32).

What are the key properties of N-[2-(N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide?

N-[2-(N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 463.53 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3211721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).