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

C26H43NO2 — CID 154698918

IUPAC2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-N,N-dimethylbutanamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CC)C(=O)N(C)C
InChIInChI=1S/C26H43NO2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-25(6-2)26(28)27(3)4/h7-8,10-11,13-14,16-17,19-20,25H,5-6,9,12,15,18,21-24H2,1-4H3/b8-7-,11-10-,14-13-,17-16-,20-19-
InChIKeyFFFSECBLIGBLSW-NEUKSRIFSA-N
MW401.64 g/mol
LogP6.79
Rot. Bonds17

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

2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-N,N-dimethylbutanamide (PubChem CID 154698918) has the molecular formula C26H43NO2 and a molecular weight of 401.64 g/mol. Its IUPAC name is 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-N,N-dimethylbutanamide
PubChem CID154698918
Molecular FormulaC26H43NO2
Molecular Weight401.64 g/mol
Exact Mass401.33
IUPAC Name2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-N,N-dimethylbutanamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CC)C(=O)N(C)C
InChIInChI=1S/C26H43NO2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-25(6-2)26(28)27(3)4/h7-8,10-11,13-14,16-17,19-20,25H,5-6,9,12,15,18,21-24H2,1-4H3/b8-7-,11-10-,14-13-,17-16-,20-19-
InChIKeyFFFSECBLIGBLSW-NEUKSRIFSA-N
XLogP6.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.64
LogP ≤ 56.79
H-Bond Donors ≤ 50
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 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-N,N-dimethylbutanamide?
The IUPAC name of 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-N,N-dimethylbutanamide (CID 154698918) is 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-N,N-dimethylbutanamide.
What is the SMILES notation for 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-N,N-dimethylbutanamide?
The canonical SMILES for 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-N,N-dimethylbutanamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CC)C(=O)N(C)C.
What is the InChIKey of 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-N,N-dimethylbutanamide?
The InChIKey is FFFSECBLIGBLSW-NEUKSRIFSA-N. The full InChI is InChI=1S/C26H43NO2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-25(6-2)26(28)27(3)4/h7-8,10-11,13-14,16-17,19-20,25H,5-6,9,12,15,18,21-24H2,1-4H3/b8-7-,11-10-,14-13-,17-16-,20-19-.
What are the key properties of 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-N,N-dimethylbutanamide?
2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-N,N-dimethylbutanamide has a molecular weight of 401.64 g/mol, XLogP of 6.79, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-N,N-dimethylbutanamide is sourced from PubChem (CID 154698918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).