N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide

C₁₅H₂₂Cl₂N₂O₂ — CID 119606020

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 119606020) has the molecular formula C₁₅H₂₂Cl₂N₂O₂ and a molecular weight of 333.26 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

• Compound Name: N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
• PubChem CID: 119606020
• Molecular Formula: C₁₅H₂₂Cl₂N₂O₂
• Molecular Weight: 333.26 g/mol
• Exact Mass: 332.11
• IUPAC Name: N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
• SMILES: CC(Oc1ccc(Cl)cc1Cl)C(=O)NC(C)(CN)C(C)C
• InChI: InChI=1S/C15H22Cl2N2O2/c1-9(2)15(4,8-18)19-14(20)10(3)21-13-6-5-11(16)7-12(13)17/h5-7,9-10H,8,18H2,1-4H3,(H,19,20)
• InChIKey: MGEXFYGFGOJNQF-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 64.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.26
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide?

The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide (CID 119606020) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide.

What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide?

The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NC(C)(CN)C(C)C.

What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide?

The InChIKey is MGEXFYGFGOJNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-9(2)15(4,8-18)19-14(20)10(3)21-13-6-5-11(16)7-12(13)17/h5-7,9-10H,8,18H2,1-4H3,(H,19,20).

What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide?

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 333.26 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 119606020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 119606020 — identifiers, structure, computed properties (public domain)

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