(Z)-N-[2-[2-[[(Z)-octadec-9-enoyl]-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethylamino]ethyl]amino]ethylamino]ethyl]octadec-9-enamide

C62H119N5O3 — CID 90684442

IUPAC(Z)-N-[2-[2-[[(Z)-octadec-9-enoyl]-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethylamino]ethyl]amino]ethylamino]ethyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCNCCN(CCNCCNC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C62H119N5O3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-60(68)65-54-52-63-56-58-67(62(70)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-57-64-53-55-66-61(69)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,63-64H,4-24,31-59H2,1-3H3,(H,65,68)(H,66,69)/b28-25-,29-26-,30-27-
InChIKeyJTEGDCYVBLBGHB-IUPFWZBJSA-N
MW982.67 g/mol
LogP16.34
Rot. Bonds57

About (Z)-N-[2-[2-[[(Z)-octadec-9-enoyl]-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethylamino]ethyl]amino]ethylamino]ethyl]octadec-9-enamide

(Z)-N-[2-[2-[[(Z)-octadec-9-enoyl]-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethylamino]ethyl]amino]ethylamino]ethyl]octadec-9-enamide (PubChem CID 90684442) has the molecular formula C62H119N5O3 and a molecular weight of 982.67 g/mol. Its IUPAC name is (Z)-N-[2-[2-[[(Z)-octadec-9-enoyl]-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethylamino]ethyl]amino]ethylamino]ethyl]octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[2-[2-[[(Z)-octadec-9-enoyl]-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethylamino]ethyl]amino]ethylamino]ethyl]octadec-9-enamide
PubChem CID90684442
Molecular FormulaC62H119N5O3
Molecular Weight982.67 g/mol
Exact Mass981.93
IUPAC Name(Z)-N-[2-[2-[[(Z)-octadec-9-enoyl]-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethylamino]ethyl]amino]ethylamino]ethyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCNCCN(CCNCCNC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C62H119N5O3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-60(68)65-54-52-63-56-58-67(62(70)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-57-64-53-55-66-61(69)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,63-64H,4-24,31-59H2,1-3H3,(H,65,68)(H,66,69)/b28-25-,29-26-,30-27-
InChIKeyJTEGDCYVBLBGHB-IUPFWZBJSA-N
XLogP16.34
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds57
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500982.67
LogP ≤ 516.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[[(Z)-octadec-9-enoyl]-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethylamino]ethyl]amino]ethylamino]ethyl]octadec-9-enamide with MolForge

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Related Compounds

N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide
CID 90402751
N-[2-[2-(2-aminoethylamino)ethyl-docosanoylamino]ethyl]docosanamide
CID 21492333
N-[2-[2-[2-[2-(octadeca-9,12-dienoylamino)ethylamino]ethylamino]ethylamino]ethyl]octadeca-9,12-dienamide
CID 57356255
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
(Z)-N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]octadec-9-enamide
CID 20836285
N-[2-[2-acetamidoethyl(hexadecanoyl)amino]ethyl]hexadecanamide
CID 3020501
N-[18-[2-(octadec-9-enoylamino)ethylamino]-18-oxooctadec-9-enyl]docos-13-enamide
CID 123913182
N-tetradecyl-N-undecyloctadec-9-enamide
CID 173113706
N-[2-[bis[2-(octadec-9-enoylamino)ethyl]amino]ethyl]octadec-9-enamide
CID 85077312
N',N'-dioctadecyl-N-pentylhexanediamide
CID 174301276
(9E,12E)-N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]octadeca-9,12-dienamide
CID 6366313

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[2-[[(Z)-octadec-9-enoyl]-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethylamino]ethyl]amino]ethylamino]ethyl]octadec-9-enamide?
The IUPAC name of (Z)-N-[2-[2-[[(Z)-octadec-9-enoyl]-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethylamino]ethyl]amino]ethylamino]ethyl]octadec-9-enamide (CID 90684442) is (Z)-N-[2-[2-[[(Z)-octadec-9-enoyl]-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethylamino]ethyl]amino]ethylamino]ethyl]octadec-9-enamide.
What is the SMILES notation for (Z)-N-[2-[2-[[(Z)-octadec-9-enoyl]-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethylamino]ethyl]amino]ethylamino]ethyl]octadec-9-enamide?
The canonical SMILES for (Z)-N-[2-[2-[[(Z)-octadec-9-enoyl]-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethylamino]ethyl]amino]ethylamino]ethyl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NCCNCCN(CCNCCNC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-N-[2-[2-[[(Z)-octadec-9-enoyl]-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethylamino]ethyl]amino]ethylamino]ethyl]octadec-9-enamide?
The InChIKey is JTEGDCYVBLBGHB-IUPFWZBJSA-N. The full InChI is InChI=1S/C62H119N5O3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-60(68)65-54-52-63-56-58-67(62(70)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-57-64-53-55-66-61(69)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,63-64H,4-24,31-59H2,1-3H3,(H,65,68)(H,66,69)/b28-25-,29-26-,30-27-.
What are the key properties of (Z)-N-[2-[2-[[(Z)-octadec-9-enoyl]-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethylamino]ethyl]amino]ethylamino]ethyl]octadec-9-enamide?
(Z)-N-[2-[2-[[(Z)-octadec-9-enoyl]-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethylamino]ethyl]amino]ethylamino]ethyl]octadec-9-enamide has a molecular weight of 982.67 g/mol, XLogP of 16.34, 57 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[2-[[(Z)-octadec-9-enoyl]-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethylamino]ethyl]amino]ethylamino]ethyl]octadec-9-enamide is sourced from PubChem (CID 90684442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).