(5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)-N-methylicosa-5,8,11,14-tetraenamide

C26H39NO2 — CID 10883832

IUPAC(5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)-N-methylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(C)Cc1ccoc1
InChIInChI=1S/C26H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(28)27(2)23-25-21-22-29-24-25/h7-8,10-11,13-14,16-17,21-22,24H,3-6,9,12,15,18-20,23H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
InChIKeyFCGZRGKHRSLYNZ-ZKWNWVNESA-N
MW397.60 g/mol
LogP7.38
Rot. Bonds16

About (5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)-N-methylicosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)-N-methylicosa-5,8,11,14-tetraenamide (PubChem CID 10883832) has the molecular formula C26H39NO2 and a molecular weight of 397.60 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)-N-methylicosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)-N-methylicosa-5,8,11,14-tetraenamide
PubChem CID10883832
Molecular FormulaC26H39NO2
Molecular Weight397.60 g/mol
Exact Mass397.30
IUPAC Name(5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)-N-methylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(C)Cc1ccoc1
InChIInChI=1S/C26H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(28)27(2)23-25-21-22-29-24-25/h7-8,10-11,13-14,16-17,21-22,24H,3-6,9,12,15,18-20,23H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
InChIKeyFCGZRGKHRSLYNZ-ZKWNWVNESA-N
XLogP7.38
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.60
LogP ≤ 57.38
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 (5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)-N-methylicosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)-N-methylicosa-5,8,11,14-tetraenamide (CID 10883832) is (5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)-N-methylicosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)-N-methylicosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)-N-methylicosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(C)Cc1ccoc1.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)-N-methylicosa-5,8,11,14-tetraenamide?
The InChIKey is FCGZRGKHRSLYNZ-ZKWNWVNESA-N. The full InChI is InChI=1S/C26H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(28)27(2)23-25-21-22-29-24-25/h7-8,10-11,13-14,16-17,21-22,24H,3-6,9,12,15,18-20,23H2,1-2H3/b8-7-,11-10-,14-13-,17-16-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)-N-methylicosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)-N-methylicosa-5,8,11,14-tetraenamide has a molecular weight of 397.60 g/mol, XLogP of 7.38, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)-N-methylicosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 10883832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).