2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide

C25H29NO4 — CID 19244084

About 2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide

2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide (PubChem CID 19244084) has the molecular formula C25H29NO4 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide.

Molecular Properties

• Compound Name: 2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide
• PubChem CID: 19244084
• Molecular Formula: C25H29NO4
• Molecular Weight: 407.51 g/mol
• Exact Mass: 407.21
• IUPAC Name: 2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide
• SMILES: Cc1cccc(OC(C)C(=O)N(Cc2ccco2)Cc2ccc(C3CC3C)o2)c1C
• InChI: InChI=1S/C25H29NO4/c1-16-7-5-9-23(18(16)3)29-19(4)25(27)26(14-20-8-6-12-28-20)15-21-10-11-24(30-21)22-13-17(22)2/h5-12,17,19,22H,13-15H2,1-4H3
• InChIKey: WBKIRMOEFJAVNU-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 55.82 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.51
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide?

The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide (CID 19244084) is 2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide.

What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide?

The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide is Cc1cccc(OC(C)C(=O)N(Cc2ccco2)Cc2ccc(C3CC3C)o2)c1C.

What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide?

The InChIKey is WBKIRMOEFJAVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4/c1-16-7-5-9-23(18(16)3)29-19(4)25(27)26(14-20-8-6-12-28-20)15-21-10-11-24(30-21)22-13-17(22)2/h5-12,17,19,22H,13-15H2,1-4H3.

What are the key properties of 2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide?

2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide has a molecular weight of 407.51 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide is sourced from PubChem (CID 19244084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).