butyl N-[10-[[(2S,3S,4R)-3,4-dibutoxy-1-[(2S,4S,5S)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]oxyoctadecan-2-yl]amino]-10-oxodecyl]carbamate

C63H124N2O11 — CID 130468188

About butyl N-[10-[[(2S,3S,4R)-3,4-dibutoxy-1-[(2S,4S,5S)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]oxyoctadecan-2-yl]amino]-10-oxodecyl]carbamate

butyl N-[10-[[(2S,3S,4R)-3,4-dibutoxy-1-[(2S,4S,5S)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]oxyoctadecan-2-yl]amino]-10-oxodecyl]carbamate (PubChem CID 130468188) has the molecular formula C63H124N2O11 and a molecular weight of 1085.69 g/mol. Its IUPAC name is butyl N-[10-[[(2S,3S,4R)-3,4-dibutoxy-1-[(2S,4S,5S)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]oxyoctadecan-2-yl]amino]-10-oxodecyl]carbamate.

Molecular Properties

• Compound Name: butyl N-[10-[[(2S,3S,4R)-3,4-dibutoxy-1-[(2S,4S,5S)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]oxyoctadecan-2-yl]amino]-10-oxodecyl]carbamate
• PubChem CID: 130468188
• Molecular Formula: C63H124N2O11
• Molecular Weight: 1085.69 g/mol
• Exact Mass: 1084.92
• IUPAC Name: butyl N-[10-[[(2S,3S,4R)-3,4-dibutoxy-1-[(2S,4S,5S)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]oxyoctadecan-2-yl]amino]-10-oxodecyl]carbamate
• SMILES: CCCCCCCCCCCCCC[C@@H](OCCCC)[C@@H](OCCCC)[C@H](CO[C@H]1OC(COCCCC)[C@H](OCCCC)[C@H](OCCCC)C1OCCCC)NC(=O)CCCCCCCCCNC(=O)OCCCC
• InChI: InChI=1S/C63H124N2O11/c1-9-17-25-26-27-28-29-30-31-33-36-39-42-55(69-46-19-11-3)58(70-47-20-12-4)54(65-57(66)43-40-37-34-32-35-38-41-44-64-63(67)74-51-24-16-8)52-75-62-61(73-50-23-15-7)60(72-49-22-14-6)59(71-48-21-13-5)56(76-62)53-68-45-18-10-2/h54-56,58-62H,9-53H2,1-8H3,(H,64,67)(H,65,66)/t54-,55+,56?,58-,59-,60-,61?,62-/m0/s1
• InChIKey: RTOQZGJOXKATEN-AVRCDGIKSA-N
• XLogP: 15.69
• TPSA: 141.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 57
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1085.69
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of butyl N-[10-[[(2S,3S,4R)-3,4-dibutoxy-1-[(2S,4S,5S)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]oxyoctadecan-2-yl]amino]-10-oxodecyl]carbamate?

The IUPAC name of butyl N-[10-[[(2S,3S,4R)-3,4-dibutoxy-1-[(2S,4S,5S)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]oxyoctadecan-2-yl]amino]-10-oxodecyl]carbamate (CID 130468188) is butyl N-[10-[[(2S,3S,4R)-3,4-dibutoxy-1-[(2S,4S,5S)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]oxyoctadecan-2-yl]amino]-10-oxodecyl]carbamate.

What is the SMILES notation for butyl N-[10-[[(2S,3S,4R)-3,4-dibutoxy-1-[(2S,4S,5S)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]oxyoctadecan-2-yl]amino]-10-oxodecyl]carbamate?

The canonical SMILES for butyl N-[10-[[(2S,3S,4R)-3,4-dibutoxy-1-[(2S,4S,5S)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]oxyoctadecan-2-yl]amino]-10-oxodecyl]carbamate is CCCCCCCCCCCCCC[C@@H](OCCCC)[C@@H](OCCCC)[C@H](CO[C@H]1OC(COCCCC)[C@H](OCCCC)[C@H](OCCCC)C1OCCCC)NC(=O)CCCCCCCCCNC(=O)OCCCC.

What is the InChIKey of butyl N-[10-[[(2S,3S,4R)-3,4-dibutoxy-1-[(2S,4S,5S)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]oxyoctadecan-2-yl]amino]-10-oxodecyl]carbamate?

The InChIKey is RTOQZGJOXKATEN-AVRCDGIKSA-N. The full InChI is InChI=1S/C63H124N2O11/c1-9-17-25-26-27-28-29-30-31-33-36-39-42-55(69-46-19-11-3)58(70-47-20-12-4)54(65-57(66)43-40-37-34-32-35-38-41-44-64-63(67)74-51-24-16-8)52-75-62-61(73-50-23-15-7)60(72-49-22-14-6)59(71-48-21-13-5)56(76-62)53-68-45-18-10-2/h54-56,58-62H,9-53H2,1-8H3,(H,64,67)(H,65,66)/t54-,55+,56?,58-,59-,60-,61?,62-/m0/s1.

What are the key properties of butyl N-[10-[[(2S,3S,4R)-3,4-dibutoxy-1-[(2S,4S,5S)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]oxyoctadecan-2-yl]amino]-10-oxodecyl]carbamate?

butyl N-[10-[[(2S,3S,4R)-3,4-dibutoxy-1-[(2S,4S,5S)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]oxyoctadecan-2-yl]amino]-10-oxodecyl]carbamate has a molecular weight of 1085.69 g/mol, XLogP of 15.69, 57 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for butyl N-[10-[[(2S,3S,4R)-3,4-dibutoxy-1-[(2S,4S,5S)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]oxyoctadecan-2-yl]amino]-10-oxodecyl]carbamate is sourced from PubChem (CID 130468188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).