N-(2-formamidoethyl)-2-[nonyl-[2-[nonyl(octyl)amino]ethyl]amino]-N-[3-[6-oxohexyl(tetradecyl)amino]propyl]acetamide;(Z)-1-methoxyhept-2-ene

C64H129N5O4 — CID 170756828

IUPACN-(2-formamidoethyl)-2-[nonyl-[2-[nonyl(octyl)amino]ethyl]amino]-N-[3-[6-oxohexyl(tetradecyl)amino]propyl]acetamide;(Z)-1-methoxyhept-2-ene
SMILESCCCC/C=C\COC.CCCCCCCCCCCCCCN(CCCCCC=O)CCCN(CCNC=O)C(=O)CN(CCCCCCCCC)CCN(CCCCCCCC)CCCCCCCCC
InChIInChI=1S/C56H113N5O3.C8H16O/c1-5-9-13-17-21-22-23-24-25-28-31-35-43-58(44-38-33-34-40-53-62)48-41-49-61(50-42-57-55-63)56(64)54-60(47-39-32-27-19-15-11-7-3)52-51-59(45-36-29-20-16-12-8-4)46-37-30-26-18-14-10-6-2;1-3-4-5-6-7-8-9-2/h53,55H,5-52,54H2,1-4H3,(H,57,63);6-7H,3-5,8H2,1-2H3/b;7-6-
InChIKeyBZUDOUPZQDGWNJ-VDXOJYAPSA-N
MW1032.77 g/mol
LogP16.56
Rot. Bonds60

About N-(2-formamidoethyl)-2-[nonyl-[2-[nonyl(octyl)amino]ethyl]amino]-N-[3-[6-oxohexyl(tetradecyl)amino]propyl]acetamide;(Z)-1-methoxyhept-2-ene

N-(2-formamidoethyl)-2-[nonyl-[2-[nonyl(octyl)amino]ethyl]amino]-N-[3-[6-oxohexyl(tetradecyl)amino]propyl]acetamide;(Z)-1-methoxyhept-2-ene (PubChem CID 170756828) has the molecular formula C64H129N5O4 and a molecular weight of 1032.77 g/mol. Its IUPAC name is N-(2-formamidoethyl)-2-[nonyl-[2-[nonyl(octyl)amino]ethyl]amino]-N-[3-[6-oxohexyl(tetradecyl)amino]propyl]acetamide;(Z)-1-methoxyhept-2-ene.

Molecular Properties

Compound NameN-(2-formamidoethyl)-2-[nonyl-[2-[nonyl(octyl)amino]ethyl]amino]-N-[3-[6-oxohexyl(tetradecyl)amino]propyl]acetamide;(Z)-1-methoxyhept-2-ene
PubChem CID170756828
Molecular FormulaC64H129N5O4
Molecular Weight1032.77 g/mol
Exact Mass1032.00
IUPAC NameN-(2-formamidoethyl)-2-[nonyl-[2-[nonyl(octyl)amino]ethyl]amino]-N-[3-[6-oxohexyl(tetradecyl)amino]propyl]acetamide;(Z)-1-methoxyhept-2-ene
SMILESCCCC/C=C\COC.CCCCCCCCCCCCCCN(CCCCCC=O)CCCN(CCNC=O)C(=O)CN(CCCCCCCCC)CCN(CCCCCCCC)CCCCCCCCC
InChIInChI=1S/C56H113N5O3.C8H16O/c1-5-9-13-17-21-22-23-24-25-28-31-35-43-58(44-38-33-34-40-53-62)48-41-49-61(50-42-57-55-63)56(64)54-60(47-39-32-27-19-15-11-7-3)52-51-59(45-36-29-20-16-12-8-4)46-37-30-26-18-14-10-6-2;1-3-4-5-6-7-8-9-2/h53,55H,5-52,54H2,1-4H3,(H,57,63);6-7H,3-5,8H2,1-2H3/b;7-6-
InChIKeyBZUDOUPZQDGWNJ-VDXOJYAPSA-N
XLogP16.56
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds60
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001032.77
LogP ≤ 516.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[di(nonyl)amino]ethyl-nonylamino]-N-[3-[di(tetradecyl)amino]propyl]-N-(2-formamidoethyl)acetamide
CID 176570859
2-[2-[di(nonyl)amino]ethyl-nonylamino]-N-(2-formamidoethyl)-N-[3-[[2-methyl-3-(methylamino)propyl]-nonylamino]propyl]acetamide
CID 168924630
2-[2-[di(nonyl)amino]ethyl-nonylamino]-N-[2-(hydroxymethylamino)ethyl]-N-propylacetamide
CID 176570849
5-(didecylamino)pentanal
CID 162037939
N-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide
CID 170224488
2-chloro-N,N-bis[(Z)-octadec-9-enyl]acetamide
CID 162712758
(Z)-1-methoxynon-2-ene
CID 12563927
(E)-1-methoxytridec-2-ene
CID 13441703
N-butyl-N-hexyl-11-oxoundecanamide
CID 172894369
N-[3-[bis(3-hydroxypropyl)amino]propyl]-N-(3-hydroxypropyl)octadec-9-enamide
CID 173431386
N-tetradecyl-N-undecyloctadec-9-enamide
CID 173113706
N-[(Z)-octadec-9-enyl]formamide;trihydrochloride
CID 174550663

Frequently Asked Questions

What is the IUPAC name of N-(2-formamidoethyl)-2-[nonyl-[2-[nonyl(octyl)amino]ethyl]amino]-N-[3-[6-oxohexyl(tetradecyl)amino]propyl]acetamide;(Z)-1-methoxyhept-2-ene?
The IUPAC name of N-(2-formamidoethyl)-2-[nonyl-[2-[nonyl(octyl)amino]ethyl]amino]-N-[3-[6-oxohexyl(tetradecyl)amino]propyl]acetamide;(Z)-1-methoxyhept-2-ene (CID 170756828) is N-(2-formamidoethyl)-2-[nonyl-[2-[nonyl(octyl)amino]ethyl]amino]-N-[3-[6-oxohexyl(tetradecyl)amino]propyl]acetamide;(Z)-1-methoxyhept-2-ene.
What is the SMILES notation for N-(2-formamidoethyl)-2-[nonyl-[2-[nonyl(octyl)amino]ethyl]amino]-N-[3-[6-oxohexyl(tetradecyl)amino]propyl]acetamide;(Z)-1-methoxyhept-2-ene?
The canonical SMILES for N-(2-formamidoethyl)-2-[nonyl-[2-[nonyl(octyl)amino]ethyl]amino]-N-[3-[6-oxohexyl(tetradecyl)amino]propyl]acetamide;(Z)-1-methoxyhept-2-ene is CCCC/C=C\COC.CCCCCCCCCCCCCCN(CCCCCC=O)CCCN(CCNC=O)C(=O)CN(CCCCCCCCC)CCN(CCCCCCCC)CCCCCCCCC.
What is the InChIKey of N-(2-formamidoethyl)-2-[nonyl-[2-[nonyl(octyl)amino]ethyl]amino]-N-[3-[6-oxohexyl(tetradecyl)amino]propyl]acetamide;(Z)-1-methoxyhept-2-ene?
The InChIKey is BZUDOUPZQDGWNJ-VDXOJYAPSA-N. The full InChI is InChI=1S/C56H113N5O3.C8H16O/c1-5-9-13-17-21-22-23-24-25-28-31-35-43-58(44-38-33-34-40-53-62)48-41-49-61(50-42-57-55-63)56(64)54-60(47-39-32-27-19-15-11-7-3)52-51-59(45-36-29-20-16-12-8-4)46-37-30-26-18-14-10-6-2;1-3-4-5-6-7-8-9-2/h53,55H,5-52,54H2,1-4H3,(H,57,63);6-7H,3-5,8H2,1-2H3/b;7-6-.
What are the key properties of N-(2-formamidoethyl)-2-[nonyl-[2-[nonyl(octyl)amino]ethyl]amino]-N-[3-[6-oxohexyl(tetradecyl)amino]propyl]acetamide;(Z)-1-methoxyhept-2-ene?
N-(2-formamidoethyl)-2-[nonyl-[2-[nonyl(octyl)amino]ethyl]amino]-N-[3-[6-oxohexyl(tetradecyl)amino]propyl]acetamide;(Z)-1-methoxyhept-2-ene has a molecular weight of 1032.77 g/mol, XLogP of 16.56, 60 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formamidoethyl)-2-[nonyl-[2-[nonyl(octyl)amino]ethyl]amino]-N-[3-[6-oxohexyl(tetradecyl)amino]propyl]acetamide;(Z)-1-methoxyhept-2-ene is sourced from PubChem (CID 170756828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).