(5Z,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide

C23H37NO — CID 124933455

IUPAC(5Z,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)NC1CC1
InChIInChI=1S/C23H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)24-22-20-21-22/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6+,10-9+,13-12+,16-15-
InChIKeyGLGAUBPACOBAMV-LIJGZOPESA-N
MW343.56 g/mol
LogP6.41
Rot. Bonds15

About (5Z,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide

(5Z,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide (PubChem CID 124933455) has the molecular formula C23H37NO and a molecular weight of 343.56 g/mol. Its IUPAC name is (5Z,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide
PubChem CID124933455
Molecular FormulaC23H37NO
Molecular Weight343.56 g/mol
Exact Mass343.29
IUPAC Name(5Z,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)NC1CC1
InChIInChI=1S/C23H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)24-22-20-21-22/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6+,10-9+,13-12+,16-15-
InChIKeyGLGAUBPACOBAMV-LIJGZOPESA-N
XLogP6.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.56
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide (CID 124933455) is (5Z,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide is CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)NC1CC1.
What is the InChIKey of (5Z,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide?
The InChIKey is GLGAUBPACOBAMV-LIJGZOPESA-N. The full InChI is InChI=1S/C23H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)24-22-20-21-22/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6+,10-9+,13-12+,16-15-.
What are the key properties of (5Z,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide?
(5Z,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide has a molecular weight of 343.56 g/mol, XLogP of 6.41, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 124933455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).