5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide

C27H31ClN2O4 — CID 19447085

About 5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide

5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide (PubChem CID 19447085) has the molecular formula C27H31ClN2O4 and a molecular weight of 483.01 g/mol. Its IUPAC name is 5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
• PubChem CID: 19447085
• Molecular Formula: C27H31ClN2O4
• Molecular Weight: 483.01 g/mol
• Exact Mass: 482.20
• IUPAC Name: 5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
• SMILES: Cc1cc(OCc2ccc(C(=O)Nc3cccc(CN4CCOCC4)c3)o2)c(C(C)C)cc1Cl
• InChI: InChI=1S/C27H31ClN2O4/c1-18(2)23-15-24(28)19(3)13-26(23)33-17-22-7-8-25(34-22)27(31)29-21-6-4-5-20(14-21)16-30-9-11-32-12-10-30/h4-8,13-15,18H,9-12,16-17H2,1-3H3,(H,29,31)
• InChIKey: AXFGGOAPBGVBRI-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 63.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.01
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide?

The IUPAC name of 5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide (CID 19447085) is 5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide.

What is the SMILES notation for 5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide?

The canonical SMILES for 5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide is Cc1cc(OCc2ccc(C(=O)Nc3cccc(CN4CCOCC4)c3)o2)c(C(C)C)cc1Cl.

What is the InChIKey of 5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide?

The InChIKey is AXFGGOAPBGVBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN2O4/c1-18(2)23-15-24(28)19(3)13-26(23)33-17-22-7-8-25(34-22)27(31)29-21-6-4-5-20(14-21)16-30-9-11-32-12-10-30/h4-8,13-15,18H,9-12,16-17H2,1-3H3,(H,29,31).

What are the key properties of 5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide?

5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide has a molecular weight of 483.01 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 19447085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).