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

C26H33Cl2N3O5 — CID 5031935

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

3,5-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 5031935) has the molecular formula C26H33Cl2N3O5 and a molecular weight of 538.47 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

• Compound Name: 3,5-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
• PubChem CID: 5031935
• Molecular Formula: C26H33Cl2N3O5
• Molecular Weight: 538.47 g/mol
• Exact Mass: 537.18
• IUPAC Name: 3,5-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
• SMILES: O=C(CN(CCCN1CCOCC1)C(=O)c1cc(Cl)cc(Cl)c1)N(Cc1ccco1)CC1CCCO1
• InChI: InChI=1S/C26H33Cl2N3O5/c27-21-14-20(15-22(28)16-21)26(33)30(7-3-6-29-8-12-34-13-9-29)19-25(32)31(17-23-4-1-10-35-23)18-24-5-2-11-36-24/h1,4,10,14-16,24H,2-3,5-9,11-13,17-19H2
• InChIKey: HQFCHBDHTBYSPT-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 75.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.47
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3,5-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide (CID 5031935) is 3,5-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide.

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

The canonical SMILES for 3,5-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide is O=C(CN(CCCN1CCOCC1)C(=O)c1cc(Cl)cc(Cl)c1)N(Cc1ccco1)CC1CCCO1.

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

The InChIKey is HQFCHBDHTBYSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33Cl2N3O5/c27-21-14-20(15-22(28)16-21)26(33)30(7-3-6-29-8-12-34-13-9-29)19-25(32)31(17-23-4-1-10-35-23)18-24-5-2-11-36-24/h1,4,10,14-16,24H,2-3,5-9,11-13,17-19H2.

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

3,5-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 538.47 g/mol, XLogP of 3.96, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 5031935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).