18-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;2-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide

C38H71N3O12 — CID 162524798

About 18-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;2-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide

18-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;2-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide (PubChem CID 162524798) has the molecular formula C38H71N3O12 and a molecular weight of 761.99 g/mol. Its IUPAC name is 18-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;2-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide.

Molecular Properties

• Compound Name: 18-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;2-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide
• PubChem CID: 162524798
• Molecular Formula: C38H71N3O12
• Molecular Weight: 761.99 g/mol
• Exact Mass: 761.50
• IUPAC Name: 18-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;2-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide
• SMILES: CCOCCOCC(=O)NCCOCCOCC(=O)C(C)C.NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O
• InChI: InChI=1S/C23H42N2O6.C15H29NO6/c24-20(26)18-17-19(23(30)31)25-21(27)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-22(28)29;1-4-19-7-9-22-12-15(18)16-5-6-20-8-10-21-11-14(17)13(2)3/h19H,1-18H2,(H2,24,26)(H,25,27)(H,28,29)(H,30,31);13H,4-12H2,1-3H3,(H,16,18)/t19-;/m0./s1
• InChIKey: SNDNJMJXURQJHJ-FYZYNONXSA-N
• XLogP: 4.56
• TPSA: 229.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 37
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	761.99
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 18-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;2-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide?

The IUPAC name of 18-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;2-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide (CID 162524798) is 18-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;2-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide.

What is the SMILES notation for 18-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;2-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide?

The canonical SMILES for 18-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;2-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide is CCOCCOCC(=O)NCCOCCOCC(=O)C(C)C.NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.

What is the InChIKey of 18-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;2-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide?

The InChIKey is SNDNJMJXURQJHJ-FYZYNONXSA-N. The full InChI is InChI=1S/C23H42N2O6.C15H29NO6/c24-20(26)18-17-19(23(30)31)25-21(27)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-22(28)29;1-4-19-7-9-22-12-15(18)16-5-6-20-8-10-21-11-14(17)13(2)3/h19H,1-18H2,(H2,24,26)(H,25,27)(H,28,29)(H,30,31);13H,4-12H2,1-3H3,(H,16,18)/t19-;/m0./s1.

What are the key properties of 18-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;2-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide?

18-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;2-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide has a molecular weight of 761.99 g/mol, XLogP of 4.56, 37 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;2-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]acetamide is sourced from PubChem (CID 162524798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).