N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide

C32H34FN3O4 — CID 42773435

About N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide

N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide (PubChem CID 42773435) has the molecular formula C32H34FN3O4 and a molecular weight of 543.64 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide
• PubChem CID: 42773435
• Molecular Formula: C32H34FN3O4
• Molecular Weight: 543.64 g/mol
• Exact Mass: 543.25
• IUPAC Name: N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide
• SMILES: O=C(CN(CCCN1CCOCC1)C(=O)c1cccc2ccccc12)N(Cc1ccc(F)cc1)Cc1ccco1
• InChI: InChI=1S/C32H34FN3O4/c33-27-13-11-25(12-14-27)22-36(23-28-8-4-19-40-28)31(37)24-35(16-5-15-34-17-20-39-21-18-34)32(38)30-10-3-7-26-6-1-2-9-29(26)30/h1-4,6-14,19H,5,15-18,20-24H2
• InChIKey: OBGRZEREFJFSNZ-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 66.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.64
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide?

The IUPAC name of N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide (CID 42773435) is N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide.

What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide?

The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide is O=C(CN(CCCN1CCOCC1)C(=O)c1cccc2ccccc12)N(Cc1ccc(F)cc1)Cc1ccco1.

What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide?

The InChIKey is OBGRZEREFJFSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN3O4/c33-27-13-11-25(12-14-27)22-36(23-28-8-4-19-40-28)31(37)24-35(16-5-15-34-17-20-39-21-18-34)32(38)30-10-3-7-26-6-1-2-9-29(26)30/h1-4,6-14,19H,5,15-18,20-24H2.

What are the key properties of N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide?

N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide has a molecular weight of 543.64 g/mol, XLogP of 4.97, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide is sourced from PubChem (CID 42773435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).