3-[2-amino-2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide

C19H31N3O5 — CID 153336638

About 3-[2-amino-2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide

3-[2-amino-2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 153336638) has the molecular formula C19H31N3O5 and a molecular weight of 381.47 g/mol. Its IUPAC name is 3-[2-amino-2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

• Compound Name: 3-[2-amino-2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide
• PubChem CID: 153336638
• Molecular Formula: C19H31N3O5
• Molecular Weight: 381.47 g/mol
• Exact Mass: 381.23
• IUPAC Name: 3-[2-amino-2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide
• SMILES: CC(=O)COCCOC(N)COc1cccc(C(=O)NCCNC(C)C)c1
• InChI: InChI=1S/C19H31N3O5/c1-14(2)21-7-8-22-19(24)16-5-4-6-17(11-16)27-13-18(20)26-10-9-25-12-15(3)23/h4-6,11,14,18,21H,7-10,12-13,20H2,1-3H3,(H,22,24)
• InChIKey: GWTKSKTWLFUJPS-UHFFFAOYSA-N
• XLogP: 0.70
• TPSA: 111.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.47
LogP ≤ 5	0.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide?

The IUPAC name of 3-[2-amino-2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide (CID 153336638) is 3-[2-amino-2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide.

What is the SMILES notation for 3-[2-amino-2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide?

The canonical SMILES for 3-[2-amino-2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide is CC(=O)COCCOC(N)COc1cccc(C(=O)NCCNC(C)C)c1.

What is the InChIKey of 3-[2-amino-2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide?

The InChIKey is GWTKSKTWLFUJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O5/c1-14(2)21-7-8-22-19(24)16-5-4-6-17(11-16)27-13-18(20)26-10-9-25-12-15(3)23/h4-6,11,14,18,21H,7-10,12-13,20H2,1-3H3,(H,22,24).

What are the key properties of 3-[2-amino-2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide?

3-[2-amino-2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 381.47 g/mol, XLogP of 0.70, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-amino-2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 153336638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).