N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide

C26H38N2O5 — CID 3416049

About N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide

N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide (PubChem CID 3416049) has the molecular formula C26H38N2O5 and a molecular weight of 458.60 g/mol. Its IUPAC name is N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide.

Molecular Properties

• Compound Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide
• PubChem CID: 3416049
• Molecular Formula: C26H38N2O5
• Molecular Weight: 458.60 g/mol
• Exact Mass: 458.28
• IUPAC Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide
• SMILES: CCC(=O)N(CCC(C)C)CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1
• InChI: InChI=1S/C26H38N2O5/c1-7-25(29)28(14-12-19(2)3)18-26(30)27(17-22-10-8-20(4)33-22)15-13-21-9-11-23(31-5)24(16-21)32-6/h8-11,16,19H,7,12-15,17-18H2,1-6H3
• InChIKey: AQRFXYYXCUZGEI-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 72.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.60
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide?

The IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide (CID 3416049) is N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide.

What is the SMILES notation for N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide?

The canonical SMILES for N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide is CCC(=O)N(CCC(C)C)CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1.

What is the InChIKey of N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide?

The InChIKey is AQRFXYYXCUZGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O5/c1-7-25(29)28(14-12-19(2)3)18-26(30)27(17-22-10-8-20(4)33-22)15-13-21-9-11-23(31-5)24(16-21)32-6/h8-11,16,19H,7,12-15,17-18H2,1-6H3.

What are the key properties of N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide?

N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide has a molecular weight of 458.60 g/mol, XLogP of 4.46, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 3416049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).