3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide

C₁₅H₂₃ClN₂O₃ — CID 60850759

About 3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide

3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide (PubChem CID 60850759) has the molecular formula C₁₅H₂₃ClN₂O₃ and a molecular weight of 314.81 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide.

Molecular Properties

• Compound Name: 3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
• PubChem CID: 60850759
• Molecular Formula: C₁₅H₂₃ClN₂O₃
• Molecular Weight: 314.81 g/mol
• Exact Mass: 314.14
• IUPAC Name: 3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
• SMILES: COc1cc(NC(=O)CCNC(C)(C)C)c(OC)cc1Cl
• InChI: InChI=1S/C15H23ClN2O3/c1-15(2,3)17-7-6-14(19)18-11-9-12(20-4)10(16)8-13(11)21-5/h8-9,17H,6-7H2,1-5H3,(H,18,19)
• InChIKey: CPQQCWQGJLCYLZ-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 59.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.81
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?

The IUPAC name of 3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide (CID 60850759) is 3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide.

What is the SMILES notation for 3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?

The canonical SMILES for 3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide is COc1cc(NC(=O)CCNC(C)(C)C)c(OC)cc1Cl.

What is the InChIKey of 3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?

The InChIKey is CPQQCWQGJLCYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-15(2,3)17-7-6-14(19)18-11-9-12(20-4)10(16)8-13(11)21-5/h8-9,17H,6-7H2,1-5H3,(H,18,19).

What are the key properties of 3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?

3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide has a molecular weight of 314.81 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 60850759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 60850759 — identifiers, structure, computed properties (public domain)

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