2-[(Z)-octadec-9-enyl]peroxy-N,N-bis[2-[(Z)-octadec-9-enyl]peroxyethyl]acetamide

C60H115NO7 — CID 88714122

IUPAC2-[(Z)-octadec-9-enyl]peroxy-N,N-bis[2-[(Z)-octadec-9-enyl]peroxyethyl]acetamide
SMILESCCCCCCCC/C=C\CCCCCCCCOOCCN(CCOOCCCCCCCC/C=C\CCCCCCCC)C(=O)COOCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C60H115NO7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-54-63-66-57-52-61(53-58-67-64-55-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60(62)59-68-65-56-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30H,4-24,31-59H2,1-3H3/b28-25-,29-26-,30-27-
InChIKeyZTMFFBZAPOWEDP-IUPFWZBJSA-N
MW962.58 g/mol
LogP18.77
Rot. Bonds59

About 2-[(Z)-octadec-9-enyl]peroxy-N,N-bis[2-[(Z)-octadec-9-enyl]peroxyethyl]acetamide

2-[(Z)-octadec-9-enyl]peroxy-N,N-bis[2-[(Z)-octadec-9-enyl]peroxyethyl]acetamide (PubChem CID 88714122) has the molecular formula C60H115NO7 and a molecular weight of 962.58 g/mol. Its IUPAC name is 2-[(Z)-octadec-9-enyl]peroxy-N,N-bis[2-[(Z)-octadec-9-enyl]peroxyethyl]acetamide.

Molecular Properties

Compound Name2-[(Z)-octadec-9-enyl]peroxy-N,N-bis[2-[(Z)-octadec-9-enyl]peroxyethyl]acetamide
PubChem CID88714122
Molecular FormulaC60H115NO7
Molecular Weight962.58 g/mol
Exact Mass961.87
IUPAC Name2-[(Z)-octadec-9-enyl]peroxy-N,N-bis[2-[(Z)-octadec-9-enyl]peroxyethyl]acetamide
SMILESCCCCCCCC/C=C\CCCCCCCCOOCCN(CCOOCCCCCCCC/C=C\CCCCCCCC)C(=O)COOCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C60H115NO7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-54-63-66-57-52-61(53-58-67-64-55-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60(62)59-68-65-56-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30H,4-24,31-59H2,1-3H3/b28-25-,29-26-,30-27-
InChIKeyZTMFFBZAPOWEDP-IUPFWZBJSA-N
XLogP18.77
TPSA75.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds59
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.58
LogP ≤ 518.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-[(Z)-octadec-9-enyl]peroxy-N,N-bis[2-[(Z)-octadec-9-enyl]peroxyethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N,N-bis(2-octadec-9-enoxyethyl)propanamide
CID 123896658
(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
3-(dimethylamino)-N,N-bis[2-[(Z)-octadec-9-enoxy]ethyl]propanamide
CID 89427345
N-tetradecyl-N-undecyloctadec-9-enamide
CID 173113706
octyl (E)-2-[2-(dioctylamino)-2-oxoethyl]dotetracont-21-enoate
CID 101280013
2-chloro-N,N-bis[(Z)-octadec-9-enyl]acetamide
CID 162712758
octyl (Z)-2-dodecyloctadec-9-enoate
CID 154635313
dodecyl (Z)-2-octyloctadec-9-enoate
CID 11192280
bis[(E)-octadec-9-enyl] carbonate
CID 22342299
[2-[bis[2-[(Z)-octadec-9-enoyl]oxyethyl]amino]-2-oxoethyl]-dimethylazanium
CID 123179488
hexadec-8-enyl acetate
CID 538136
[(Z)-icos-11-enyl] acetate
CID 11493805

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-octadec-9-enyl]peroxy-N,N-bis[2-[(Z)-octadec-9-enyl]peroxyethyl]acetamide?
The IUPAC name of 2-[(Z)-octadec-9-enyl]peroxy-N,N-bis[2-[(Z)-octadec-9-enyl]peroxyethyl]acetamide (CID 88714122) is 2-[(Z)-octadec-9-enyl]peroxy-N,N-bis[2-[(Z)-octadec-9-enyl]peroxyethyl]acetamide.
What is the SMILES notation for 2-[(Z)-octadec-9-enyl]peroxy-N,N-bis[2-[(Z)-octadec-9-enyl]peroxyethyl]acetamide?
The canonical SMILES for 2-[(Z)-octadec-9-enyl]peroxy-N,N-bis[2-[(Z)-octadec-9-enyl]peroxyethyl]acetamide is CCCCCCCC/C=C\CCCCCCCCOOCCN(CCOOCCCCCCCC/C=C\CCCCCCCC)C(=O)COOCCCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of 2-[(Z)-octadec-9-enyl]peroxy-N,N-bis[2-[(Z)-octadec-9-enyl]peroxyethyl]acetamide?
The InChIKey is ZTMFFBZAPOWEDP-IUPFWZBJSA-N. The full InChI is InChI=1S/C60H115NO7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-54-63-66-57-52-61(53-58-67-64-55-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60(62)59-68-65-56-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30H,4-24,31-59H2,1-3H3/b28-25-,29-26-,30-27-.
What are the key properties of 2-[(Z)-octadec-9-enyl]peroxy-N,N-bis[2-[(Z)-octadec-9-enyl]peroxyethyl]acetamide?
2-[(Z)-octadec-9-enyl]peroxy-N,N-bis[2-[(Z)-octadec-9-enyl]peroxyethyl]acetamide has a molecular weight of 962.58 g/mol, XLogP of 18.77, 59 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-octadec-9-enyl]peroxy-N,N-bis[2-[(Z)-octadec-9-enyl]peroxyethyl]acetamide is sourced from PubChem (CID 88714122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).