11-[10-[3-(11-dec-4-enyldocosa-6,15-dien-10-yloxycarbonylamino)propyl-methylamino]dec-4-enyl]docosa-6,15-dien-10-yl N-[2-(dimethylamino)ethyl]carbamate

C74H138N4O4 — CID 123563097

IUPAC11-[10-[3-(11-dec-4-enyldocosa-6,15-dien-10-yloxycarbonylamino)propyl-methylamino]dec-4-enyl]docosa-6,15-dien-10-yl N-[2-(dimethylamino)ethyl]carbamate
SMILESCCCCCC=CCCCC(CCCC=CCCCCCC)C(CCC=CCCCCC)OC(=O)NCCCN(C)CCCCCC=CCCCC(CCCC=CCCCCCC)C(CCC=CCCCCC)OC(=O)NCCN(C)C
InChIInChI=1S/C74H138N4O4/c1-9-14-19-24-29-32-39-44-51-59-69(58-50-43-38-31-26-21-16-11-3)71(62-54-47-36-27-22-17-12-4)81-73(79)75-64-57-67-78(8)66-56-49-42-35-34-41-46-53-61-70(60-52-45-40-33-30-25-20-15-10-2)72(63-55-48-37-28-23-18-13-5)82-74(80)76-65-68-77(6)7/h31-34,36-41,47-48,69-72H,9-30,35,42-46,49-68H2,1-8H3,(H,75,79)(H,76,80)
InChIKeyLFXXXHYJKKMABG-UHFFFAOYSA-N
MW1147.94 g/mol
LogP22.11
Rot. Bonds61

About 11-[10-[3-(11-dec-4-enyldocosa-6,15-dien-10-yloxycarbonylamino)propyl-methylamino]dec-4-enyl]docosa-6,15-dien-10-yl N-[2-(dimethylamino)ethyl]carbamate

11-[10-[3-(11-dec-4-enyldocosa-6,15-dien-10-yloxycarbonylamino)propyl-methylamino]dec-4-enyl]docosa-6,15-dien-10-yl N-[2-(dimethylamino)ethyl]carbamate (PubChem CID 123563097) has the molecular formula C74H138N4O4 and a molecular weight of 1147.94 g/mol. Its IUPAC name is 11-[10-[3-(11-dec-4-enyldocosa-6,15-dien-10-yloxycarbonylamino)propyl-methylamino]dec-4-enyl]docosa-6,15-dien-10-yl N-[2-(dimethylamino)ethyl]carbamate.

Molecular Properties

Compound Name11-[10-[3-(11-dec-4-enyldocosa-6,15-dien-10-yloxycarbonylamino)propyl-methylamino]dec-4-enyl]docosa-6,15-dien-10-yl N-[2-(dimethylamino)ethyl]carbamate
PubChem CID123563097
Molecular FormulaC74H138N4O4
Molecular Weight1147.94 g/mol
Exact Mass1147.07
IUPAC Name11-[10-[3-(11-dec-4-enyldocosa-6,15-dien-10-yloxycarbonylamino)propyl-methylamino]dec-4-enyl]docosa-6,15-dien-10-yl N-[2-(dimethylamino)ethyl]carbamate
SMILESCCCCCC=CCCCC(CCCC=CCCCCCC)C(CCC=CCCCCC)OC(=O)NCCCN(C)CCCCCC=CCCCC(CCCC=CCCCCCC)C(CCC=CCCCCC)OC(=O)NCCN(C)C
InChIInChI=1S/C74H138N4O4/c1-9-14-19-24-29-32-39-44-51-59-69(58-50-43-38-31-26-21-16-11-3)71(62-54-47-36-27-22-17-12-4)81-73(79)75-64-57-67-78(8)66-56-49-42-35-34-41-46-53-61-70(60-52-45-40-33-30-25-20-15-10-2)72(63-55-48-37-28-23-18-13-5)82-74(80)76-65-68-77(6)7/h31-34,36-41,47-48,69-72H,9-30,35,42-46,49-68H2,1-8H3,(H,75,79)(H,76,80)
InChIKeyLFXXXHYJKKMABG-UHFFFAOYSA-N
XLogP22.11
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds61
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.94
LogP ≤ 522.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 11-[10-[3-(11-dec-4-enyldocosa-6,15-dien-10-yloxycarbonylamino)propyl-methylamino]dec-4-enyl]docosa-6,15-dien-10-yl N-[2-(dimethylamino)ethyl]carbamate with MolForge

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Related Compounds

[2,3-bis[4-(dimethylamino)butylcarbamoyloxy]-4-[(Z)-hexadec-9-enoyl]oxybutyl] (Z)-hexadec-9-enoate
CID 176951923
[(6Z,15Z)-11-[(Z)-dec-4-enyl]docosa-6,15-dien-10-yl] N-[3-(dimethylamino)propyl]carbamate;[(6Z,15Z)-11-[(Z)-dec-4-enyl]henicosa-6,15-dien-10-yl] N-[3-(dimethylamino)propyl]-N-methylcarbamate;[(6Z,16Z)-12-[(Z)-dec-4-enyl]-12-hydroxydocosa-6,16-dien-11-yl] 4-(dimethylamino)butanoate;[(6Z,16Z)-12-[(Z)-dec-4-enyl]-12-hydroxydocosa-6,16-dien-11-yl] 3-(dimethylamino)propanoate;[(6Z,14Z)-11-[(Z)-non-3-enyl]icosa-6,14-dien-10-yl] 4-(dimethylamino)butanoate;[(6Z,14Z)-11-[(Z)-non-3-enyl]icosa-6,14-dien-10-yl] 5-(dimethylamino)pentanoate
CID 165099074
[(Z)-9-octylicos-14-en-10-yl] 6-(dimethylamino)hexanoate
CID 155163843
[(6Z,13Z,16Z)-12-[(4Z,8E)-deca-4,8-dienyl]docosa-6,13,16-trien-11-yl] N-[2-(dimethylamino)ethyl]carbamate
CID 166796300
[(4Z,7Z,26Z,29Z)-1-hydroxytetratriaconta-4,7,26,29-tetraen-17-yl] N-[3-(dimethylamino)propyl]carbamate
CID 170026720
(Z)-N-[4-[methyl-[7-[methyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]amino]heptyl]amino]butyl]octadec-9-enamide;dihydrobromide
CID 172726509
N-[3-(dimethylamino)propyl]-2-octadecylicos-14-enamide
CID 123864204
N-[3-[3-acetamidopropyl(methyl)amino]propyl]octadec-9-enamide
CID 154225120
[2-[2-[2-hydroxyethyl(methyl)amino]ethylcarbamoyloxy]-3-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
CID 86751865
[(E,2S,3R)-2-(hexadecanoylamino)-1-hydroxyoctadec-4-en-3-yl] N-[3-[methyl-[4-[methyl-[3-(methylamino)propyl]amino]butyl]amino]propyl]carbamate
CID 59609064
[(6Z,15Z,18E)-11-[(Z)-dec-4-enyl]henicosa-6,15,18-trien-10-yl] (E)-4-(dimethylamino)but-2-enoate
CID 166796278
N,N,N'-trimethyl-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
CID 6437658

Frequently Asked Questions

What is the IUPAC name of 11-[10-[3-(11-dec-4-enyldocosa-6,15-dien-10-yloxycarbonylamino)propyl-methylamino]dec-4-enyl]docosa-6,15-dien-10-yl N-[2-(dimethylamino)ethyl]carbamate?
The IUPAC name of 11-[10-[3-(11-dec-4-enyldocosa-6,15-dien-10-yloxycarbonylamino)propyl-methylamino]dec-4-enyl]docosa-6,15-dien-10-yl N-[2-(dimethylamino)ethyl]carbamate (CID 123563097) is 11-[10-[3-(11-dec-4-enyldocosa-6,15-dien-10-yloxycarbonylamino)propyl-methylamino]dec-4-enyl]docosa-6,15-dien-10-yl N-[2-(dimethylamino)ethyl]carbamate.
What is the SMILES notation for 11-[10-[3-(11-dec-4-enyldocosa-6,15-dien-10-yloxycarbonylamino)propyl-methylamino]dec-4-enyl]docosa-6,15-dien-10-yl N-[2-(dimethylamino)ethyl]carbamate?
The canonical SMILES for 11-[10-[3-(11-dec-4-enyldocosa-6,15-dien-10-yloxycarbonylamino)propyl-methylamino]dec-4-enyl]docosa-6,15-dien-10-yl N-[2-(dimethylamino)ethyl]carbamate is CCCCCC=CCCCC(CCCC=CCCCCCC)C(CCC=CCCCCC)OC(=O)NCCCN(C)CCCCCC=CCCCC(CCCC=CCCCCCC)C(CCC=CCCCCC)OC(=O)NCCN(C)C.
What is the InChIKey of 11-[10-[3-(11-dec-4-enyldocosa-6,15-dien-10-yloxycarbonylamino)propyl-methylamino]dec-4-enyl]docosa-6,15-dien-10-yl N-[2-(dimethylamino)ethyl]carbamate?
The InChIKey is LFXXXHYJKKMABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H138N4O4/c1-9-14-19-24-29-32-39-44-51-59-69(58-50-43-38-31-26-21-16-11-3)71(62-54-47-36-27-22-17-12-4)81-73(79)75-64-57-67-78(8)66-56-49-42-35-34-41-46-53-61-70(60-52-45-40-33-30-25-20-15-10-2)72(63-55-48-37-28-23-18-13-5)82-74(80)76-65-68-77(6)7/h31-34,36-41,47-48,69-72H,9-30,35,42-46,49-68H2,1-8H3,(H,75,79)(H,76,80).
What are the key properties of 11-[10-[3-(11-dec-4-enyldocosa-6,15-dien-10-yloxycarbonylamino)propyl-methylamino]dec-4-enyl]docosa-6,15-dien-10-yl N-[2-(dimethylamino)ethyl]carbamate?
11-[10-[3-(11-dec-4-enyldocosa-6,15-dien-10-yloxycarbonylamino)propyl-methylamino]dec-4-enyl]docosa-6,15-dien-10-yl N-[2-(dimethylamino)ethyl]carbamate has a molecular weight of 1147.94 g/mol, XLogP of 22.11, 61 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[10-[3-(11-dec-4-enyldocosa-6,15-dien-10-yloxycarbonylamino)propyl-methylamino]dec-4-enyl]docosa-6,15-dien-10-yl N-[2-(dimethylamino)ethyl]carbamate is sourced from PubChem (CID 123563097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).