N-[2-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide

C26H32FN3O5 — CID 652338

About N-[2-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 652338) has the molecular formula C26H32FN3O5 and a molecular weight of 485.56 g/mol. Its IUPAC name is N-[2-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 652338
• Molecular Formula: C26H32FN3O5
• Molecular Weight: 485.56 g/mol
• Exact Mass: 485.23
• IUPAC Name: N-[2-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
• SMILES: O=C(NCC(=O)N(CC1CCCO1)C(C(=O)NC1CCCCC1)c1ccc(F)cc1)c1ccco1
• InChI: InChI=1S/C26H32FN3O5/c27-19-12-10-18(11-13-19)24(26(33)29-20-6-2-1-3-7-20)30(17-21-8-4-14-34-21)23(31)16-28-25(32)22-9-5-15-35-22/h5,9-13,15,20-21,24H,1-4,6-8,14,16-17H2,(H,28,32)(H,29,33)
• InChIKey: CJAAXOOTFVSSKN-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 100.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.56
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide (CID 652338) is N-[2-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N(CC1CCCO1)C(C(=O)NC1CCCCC1)c1ccc(F)cc1)c1ccco1.

What is the InChIKey of N-[2-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is CJAAXOOTFVSSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O5/c27-19-12-10-18(11-13-19)24(26(33)29-20-6-2-1-3-7-20)30(17-21-8-4-14-34-21)23(31)16-28-25(32)22-9-5-15-35-22/h5,9-13,15,20-21,24H,1-4,6-8,14,16-17H2,(H,28,32)(H,29,33).

What are the key properties of N-[2-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?

N-[2-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 485.56 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 652338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).