2-[3-ethoxypropyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

C29H37N3O4 — CID 4028602

About 2-[3-ethoxypropyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

2-[3-ethoxypropyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide (PubChem CID 4028602) has the molecular formula C29H37N3O4 and a molecular weight of 491.63 g/mol. Its IUPAC name is 2-[3-ethoxypropyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-ethoxypropyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
• PubChem CID: 4028602
• Molecular Formula: C29H37N3O4
• Molecular Weight: 491.63 g/mol
• Exact Mass: 491.28
• IUPAC Name: 2-[3-ethoxypropyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
• SMILES: CCOCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)Nc1ccccc1C
• InChI: InChI=1S/C29H37N3O4/c1-4-35-20-10-18-32(29(34)30-27-14-9-8-11-23(27)2)22-28(33)31(21-26-16-15-24(3)36-26)19-17-25-12-6-5-7-13-25/h5-9,11-16H,4,10,17-22H2,1-3H3,(H,30,34)
• InChIKey: DTZDDYYPWNZBEV-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 75.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.63
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxypropyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?

The IUPAC name of 2-[3-ethoxypropyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide (CID 4028602) is 2-[3-ethoxypropyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide.

What is the SMILES notation for 2-[3-ethoxypropyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?

The canonical SMILES for 2-[3-ethoxypropyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide is CCOCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)Nc1ccccc1C.

What is the InChIKey of 2-[3-ethoxypropyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?

The InChIKey is DTZDDYYPWNZBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O4/c1-4-35-20-10-18-32(29(34)30-27-14-9-8-11-23(27)2)22-28(33)31(21-26-16-15-24(3)36-26)19-17-25-12-6-5-7-13-25/h5-9,11-16H,4,10,17-22H2,1-3H3,(H,30,34).

What are the key properties of 2-[3-ethoxypropyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?

2-[3-ethoxypropyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide has a molecular weight of 491.63 g/mol, XLogP of 5.43, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-ethoxypropyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 4028602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).