(Z)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[(Z)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide

C60H116N2O10 — CID 101425299

IUPAC(Z)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[(Z)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CCCCCCN(CCOCCOCCOCCOC)C(=O)CCCCCCC/C=C\CCCCCCCC)CCOCCOCCOCCOC
InChIInChI=1S/C60H116N2O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-59(63)61(43-45-67-51-53-71-57-55-69-49-47-65-3)41-37-33-34-38-42-62(44-46-68-52-54-72-58-56-70-50-48-66-4)60(64)40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22H,5-18,23-58H2,1-4H3/b21-19-,22-20-
InChIKeyJFGMVESUXWWBPG-WRBBJXAJSA-N
MW1025.59 g/mol
LogP13.67
Rot. Bonds61

About (Z)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[(Z)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide

(Z)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[(Z)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide (PubChem CID 101425299) has the molecular formula C60H116N2O10 and a molecular weight of 1025.59 g/mol. Its IUPAC name is (Z)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[(Z)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[(Z)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
PubChem CID101425299
Molecular FormulaC60H116N2O10
Molecular Weight1025.59 g/mol
Exact Mass1024.86
IUPAC Name(Z)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[(Z)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CCCCCCN(CCOCCOCCOCCOC)C(=O)CCCCCCC/C=C\CCCCCCCC)CCOCCOCCOCCOC
InChIInChI=1S/C60H116N2O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-59(63)61(43-45-67-51-53-71-57-55-69-49-47-65-3)41-37-33-34-38-42-62(44-46-68-52-54-72-58-56-70-50-48-66-4)60(64)40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22H,5-18,23-58H2,1-4H3/b21-19-,22-20-
InChIKeyJFGMVESUXWWBPG-WRBBJXAJSA-N
XLogP13.67
TPSA114.46 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds61
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.59
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (Z)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[(Z)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide with MolForge

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Related Compounds

N-tetradecyl-N-undecyloctadec-9-enamide
CID 173113706
3-(dimethylamino)-N,N-bis[2-[(Z)-octadec-9-enoxy]ethyl]propanamide
CID 89427345
3-amino-N,N-bis(2-octadec-9-enoxyethyl)propanamide
CID 123896658
N,N-bis(2-ethoxyethyl)dodecanamide
CID 87526086
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N,N-di(tetradecyl)acetamide
CID 163192847
N,N-dioctyltetradecanamide
CID 169083302
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
4-oxo-4-[2-[2-[tetradecanoyl(tetradecyl)amino]ethoxy]ethoxy]butanoic acid
CID 170390222
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate
CID 176758965
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-[di(tetradecyl)amino]-4-oxobutanoate
CID 176758962
N-butyl-N-octyldecanamide
CID 18913402

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[(Z)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide?
The IUPAC name of (Z)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[(Z)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide (CID 101425299) is (Z)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[(Z)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide.
What is the SMILES notation for (Z)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[(Z)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide?
The canonical SMILES for (Z)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[(Z)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)N(CCCCCCN(CCOCCOCCOCCOC)C(=O)CCCCCCC/C=C\CCCCCCCC)CCOCCOCCOCCOC.
What is the InChIKey of (Z)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[(Z)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide?
The InChIKey is JFGMVESUXWWBPG-WRBBJXAJSA-N. The full InChI is InChI=1S/C60H116N2O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-59(63)61(43-45-67-51-53-71-57-55-69-49-47-65-3)41-37-33-34-38-42-62(44-46-68-52-54-72-58-56-70-50-48-66-4)60(64)40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22H,5-18,23-58H2,1-4H3/b21-19-,22-20-.
What are the key properties of (Z)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[(Z)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide?
(Z)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[(Z)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide has a molecular weight of 1025.59 g/mol, XLogP of 13.67, 61 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl-[(Z)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide is sourced from PubChem (CID 101425299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).