N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide

C30H37N3O6 — CID 4118969

About N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 4118969) has the molecular formula C30H37N3O6 and a molecular weight of 535.64 g/mol. Its IUPAC name is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
• PubChem CID: 4118969
• Molecular Formula: C30H37N3O6
• Molecular Weight: 535.64 g/mol
• Exact Mass: 535.27
• IUPAC Name: N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
• SMILES: COc1cc(OC)cc(C(=O)N(CCCN2CCOCC2)CC(=O)N(Cc2ccccc2)Cc2ccco2)c1
• InChI: InChI=1S/C30H37N3O6/c1-36-27-18-25(19-28(20-27)37-2)30(35)32(12-7-11-31-13-16-38-17-14-31)23-29(34)33(22-26-10-6-15-39-26)21-24-8-4-3-5-9-24/h3-6,8-10,15,18-20H,7,11-14,16-17,21-23H2,1-2H3
• InChIKey: OJVACUNMTNPQQO-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 84.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.64
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide?

The IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide (CID 4118969) is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide.

What is the SMILES notation for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide?

The canonical SMILES for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide is COc1cc(OC)cc(C(=O)N(CCCN2CCOCC2)CC(=O)N(Cc2ccccc2)Cc2ccco2)c1.

What is the InChIKey of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide?

The InChIKey is OJVACUNMTNPQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O6/c1-36-27-18-25(19-28(20-27)37-2)30(35)32(12-7-11-31-13-16-38-17-14-31)23-29(34)33(22-26-10-6-15-39-26)21-24-8-4-3-5-9-24/h3-6,8-10,15,18-20H,7,11-14,16-17,21-23H2,1-2H3.

What are the key properties of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide?

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 535.64 g/mol, XLogP of 3.69, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 4118969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).