2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate

C₃₈H₇₄N₂O₅ — CID 176872526

About 2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate

2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate (PubChem CID 176872526) has the molecular formula C₃₈H₇₄N₂O₅ and a molecular weight of 639.02 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate.

Molecular Properties

• Compound Name: 2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate
• PubChem CID: 176872526
• Molecular Formula: C₃₈H₇₄N₂O₅
• Molecular Weight: 639.02 g/mol
• Exact Mass: 638.56
• IUPAC Name: 2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate
• SMILES: CCCCCCCCCCCCC(CC)C(=O)OCCN(CCOC(=O)C(CC)CCCCCCCCCCCC)C(=O)CN
• InChI: InChI=1S/C38H74N2O5/c1-5-9-11-13-15-17-19-21-23-25-27-34(7-3)37(42)44-31-29-40(36(41)33-39)30-32-45-38(43)35(8-4)28-26-24-22-20-18-16-14-12-10-6-2/h34-35H,5-33,39H2,1-4H3
• InChIKey: DWARAXKNNLHODL-UHFFFAOYSA-N
• XLogP: 9.53
• TPSA: 98.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 33
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.02
LogP ≤ 5	9.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate?

The IUPAC name of 2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate (CID 176872526) is 2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate.

What is the SMILES notation for 2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate?

The canonical SMILES for 2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate is CCCCCCCCCCCCC(CC)C(=O)OCCN(CCOC(=O)C(CC)CCCCCCCCCCCC)C(=O)CN.

What is the InChIKey of 2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate?

The InChIKey is DWARAXKNNLHODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H74N2O5/c1-5-9-11-13-15-17-19-21-23-25-27-34(7-3)37(42)44-31-29-40(36(41)33-39)30-32-45-38(43)35(8-4)28-26-24-22-20-18-16-14-12-10-6-2/h34-35H,5-33,39H2,1-4H3.

What are the key properties of 2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate?

2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate has a molecular weight of 639.02 g/mol, XLogP of 9.53, 33 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate is sourced from PubChem (CID 176872526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 176872526 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.