N-benzyl-2-[cyclohexylcarbamoyl(3-morpholin-4-ylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide

C29H42N4O4 — CID 3455332

About N-benzyl-2-[cyclohexylcarbamoyl(3-morpholin-4-ylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide

N-benzyl-2-[cyclohexylcarbamoyl(3-morpholin-4-ylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 3455332) has the molecular formula C29H42N4O4 and a molecular weight of 510.68 g/mol. Its IUPAC name is N-benzyl-2-[cyclohexylcarbamoyl(3-morpholin-4-ylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[cyclohexylcarbamoyl(3-morpholin-4-ylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
• PubChem CID: 3455332
• Molecular Formula: C29H42N4O4
• Molecular Weight: 510.68 g/mol
• Exact Mass: 510.32
• IUPAC Name: N-benzyl-2-[cyclohexylcarbamoyl(3-morpholin-4-ylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
• SMILES: Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CCCN2CCOCC2)C(=O)NC2CCCCC2)o1
• InChI: InChI=1S/C29H42N4O4/c1-24-13-14-27(37-24)22-33(21-25-9-4-2-5-10-25)28(34)23-32(16-8-15-31-17-19-36-20-18-31)29(35)30-26-11-6-3-7-12-26/h2,4-5,9-10,13-14,26H,3,6-8,11-12,15-23H2,1H3,(H,30,35)
• InChIKey: HXJBZMWCFDMMRI-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 78.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.68
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[cyclohexylcarbamoyl(3-morpholin-4-ylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?

The IUPAC name of N-benzyl-2-[cyclohexylcarbamoyl(3-morpholin-4-ylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 3455332) is N-benzyl-2-[cyclohexylcarbamoyl(3-morpholin-4-ylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide.

What is the SMILES notation for N-benzyl-2-[cyclohexylcarbamoyl(3-morpholin-4-ylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?

The canonical SMILES for N-benzyl-2-[cyclohexylcarbamoyl(3-morpholin-4-ylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CCCN2CCOCC2)C(=O)NC2CCCCC2)o1.

What is the InChIKey of N-benzyl-2-[cyclohexylcarbamoyl(3-morpholin-4-ylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?

The InChIKey is HXJBZMWCFDMMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N4O4/c1-24-13-14-27(37-24)22-33(21-25-9-4-2-5-10-25)28(34)23-32(16-8-15-31-17-19-36-20-18-31)29(35)30-26-11-6-3-7-12-26/h2,4-5,9-10,13-14,26H,3,6-8,11-12,15-23H2,1H3,(H,30,35).

What are the key properties of N-benzyl-2-[cyclohexylcarbamoyl(3-morpholin-4-ylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?

N-benzyl-2-[cyclohexylcarbamoyl(3-morpholin-4-ylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 510.68 g/mol, XLogP of 4.18, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[cyclohexylcarbamoyl(3-morpholin-4-ylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 3455332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).