N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-butoxy-N-cyclopropylbenzamide

C29H34N2O4 — CID 4274304

About N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-butoxy-N-cyclopropylbenzamide

N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-butoxy-N-cyclopropylbenzamide (PubChem CID 4274304) has the molecular formula C29H34N2O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-butoxy-N-cyclopropylbenzamide.

Molecular Properties

• Compound Name: N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-butoxy-N-cyclopropylbenzamide
• PubChem CID: 4274304
• Molecular Formula: C29H34N2O4
• Molecular Weight: 474.60 g/mol
• Exact Mass: 474.25
• IUPAC Name: N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-butoxy-N-cyclopropylbenzamide
• SMILES: CCCCOc1ccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccc(C)o2)C2CC2)cc1
• InChI: InChI=1S/C29H34N2O4/c1-3-4-18-34-26-16-11-24(12-17-26)29(33)31(25-13-14-25)21-28(32)30(19-23-8-6-5-7-9-23)20-27-15-10-22(2)35-27/h5-12,15-17,25H,3-4,13-14,18-21H2,1-2H3
• InChIKey: ITGFAGJFHBWDQO-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 62.99 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.60
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	0
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 N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-butoxy-N-cyclopropylbenzamide?

The IUPAC name of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-butoxy-N-cyclopropylbenzamide (CID 4274304) is N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-butoxy-N-cyclopropylbenzamide.

What is the SMILES notation for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-butoxy-N-cyclopropylbenzamide?

The canonical SMILES for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-butoxy-N-cyclopropylbenzamide is CCCCOc1ccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccc(C)o2)C2CC2)cc1.

What is the InChIKey of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-butoxy-N-cyclopropylbenzamide?

The InChIKey is ITGFAGJFHBWDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O4/c1-3-4-18-34-26-16-11-24(12-17-26)29(33)31(25-13-14-25)21-28(32)30(19-23-8-6-5-7-9-23)20-27-15-10-22(2)35-27/h5-12,15-17,25H,3-4,13-14,18-21H2,1-2H3.

What are the key properties of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-butoxy-N-cyclopropylbenzamide?

N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-butoxy-N-cyclopropylbenzamide has a molecular weight of 474.60 g/mol, XLogP of 5.60, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-butoxy-N-cyclopropylbenzamide is sourced from PubChem (CID 4274304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).