N-ethyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanamide

C26H43NO2 — CID 138680211

IUPACN-ethyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CC)C(=O)NCC
InChIInChI=1S/C26H43NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-25(5-2)26(28)27-6-3/h7-8,10-11,13-14,16-17,19-20,25H,4-6,9,12,15,18,21-24H2,1-3H3,(H,27,28)/b8-7-,11-10-,14-13-,17-16-,20-19-
InChIKeyGIHHUPPAJNZRIU-NEUKSRIFSA-N
MW401.64 g/mol
LogP6.84
Rot. Bonds18

About N-ethyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanamide

N-ethyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanamide (PubChem CID 138680211) has the molecular formula C26H43NO2 and a molecular weight of 401.64 g/mol. Its IUPAC name is N-ethyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanamide.

Molecular Properties

Compound NameN-ethyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanamide
PubChem CID138680211
Molecular FormulaC26H43NO2
Molecular Weight401.64 g/mol
Exact Mass401.33
IUPAC NameN-ethyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CC)C(=O)NCC
InChIInChI=1S/C26H43NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-25(5-2)26(28)27-6-3/h7-8,10-11,13-14,16-17,19-20,25H,4-6,9,12,15,18,21-24H2,1-3H3,(H,27,28)/b8-7-,11-10-,14-13-,17-16-,20-19-
InChIKeyGIHHUPPAJNZRIU-NEUKSRIFSA-N
XLogP6.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.64
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanamide?
The IUPAC name of N-ethyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanamide (CID 138680211) is N-ethyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanamide.
What is the SMILES notation for N-ethyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanamide?
The canonical SMILES for N-ethyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CC)C(=O)NCC.
What is the InChIKey of N-ethyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanamide?
The InChIKey is GIHHUPPAJNZRIU-NEUKSRIFSA-N. The full InChI is InChI=1S/C26H43NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-25(5-2)26(28)27-6-3/h7-8,10-11,13-14,16-17,19-20,25H,4-6,9,12,15,18,21-24H2,1-3H3,(H,27,28)/b8-7-,11-10-,14-13-,17-16-,20-19-.
What are the key properties of N-ethyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanamide?
N-ethyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanamide has a molecular weight of 401.64 g/mol, XLogP of 6.84, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanamide is sourced from PubChem (CID 138680211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).