(4Z,7Z,10Z,12Z,15Z,18Z)-N-[(2R)-1-hydroxypropan-2-yl]henicosa-4,7,10,12,15,18-hexaenamide

C24H37NO2 — CID 53324040

IUPAC(4Z,7Z,10Z,12Z,15Z,18Z)-N-[(2R)-1-hydroxypropan-2-yl]henicosa-4,7,10,12,15,18-hexaenamide
SMILESCC/C=C\C/C=C\C/C=C\C=C/C/C=C\C/C=C\CCC(=O)N[C@H](C)CO
InChIInChI=1S/C24H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-23(2)22-26/h4-5,7-8,10-13,15-16,18-19,23,26H,3,6,9,14,17,20-22H2,1-2H3,(H,25,27)/b5-4-,8-7-,11-10-,13-12-,16-15-,19-18-/t23-/m1/s1
InChIKeyMNEVPRCUHDRUJY-YTFNXNGVSA-N
MW371.57 g/mol
LogP5.57
Rot. Bonds15

About (4Z,7Z,10Z,12Z,15Z,18Z)-N-[(2R)-1-hydroxypropan-2-yl]henicosa-4,7,10,12,15,18-hexaenamide

(4Z,7Z,10Z,12Z,15Z,18Z)-N-[(2R)-1-hydroxypropan-2-yl]henicosa-4,7,10,12,15,18-hexaenamide (PubChem CID 53324040) has the molecular formula C24H37NO2 and a molecular weight of 371.57 g/mol. Its IUPAC name is (4Z,7Z,10Z,12Z,15Z,18Z)-N-[(2R)-1-hydroxypropan-2-yl]henicosa-4,7,10,12,15,18-hexaenamide.

Molecular Properties

Compound Name(4Z,7Z,10Z,12Z,15Z,18Z)-N-[(2R)-1-hydroxypropan-2-yl]henicosa-4,7,10,12,15,18-hexaenamide
PubChem CID53324040
Molecular FormulaC24H37NO2
Molecular Weight371.57 g/mol
Exact Mass371.28
IUPAC Name(4Z,7Z,10Z,12Z,15Z,18Z)-N-[(2R)-1-hydroxypropan-2-yl]henicosa-4,7,10,12,15,18-hexaenamide
SMILESCC/C=C\C/C=C\C/C=C\C=C/C/C=C\C/C=C\CCC(=O)N[C@H](C)CO
InChIInChI=1S/C24H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-23(2)22-26/h4-5,7-8,10-13,15-16,18-19,23,26H,3,6,9,14,17,20-22H2,1-2H3,(H,25,27)/b5-4-,8-7-,11-10-,13-12-,16-15-,19-18-/t23-/m1/s1
InChIKeyMNEVPRCUHDRUJY-YTFNXNGVSA-N
XLogP5.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,12Z,15Z,18Z)-N-[(2R)-1-hydroxypropan-2-yl]henicosa-4,7,10,12,15,18-hexaenamide?
The IUPAC name of (4Z,7Z,10Z,12Z,15Z,18Z)-N-[(2R)-1-hydroxypropan-2-yl]henicosa-4,7,10,12,15,18-hexaenamide (CID 53324040) is (4Z,7Z,10Z,12Z,15Z,18Z)-N-[(2R)-1-hydroxypropan-2-yl]henicosa-4,7,10,12,15,18-hexaenamide.
What is the SMILES notation for (4Z,7Z,10Z,12Z,15Z,18Z)-N-[(2R)-1-hydroxypropan-2-yl]henicosa-4,7,10,12,15,18-hexaenamide?
The canonical SMILES for (4Z,7Z,10Z,12Z,15Z,18Z)-N-[(2R)-1-hydroxypropan-2-yl]henicosa-4,7,10,12,15,18-hexaenamide is CC/C=C\C/C=C\C/C=C\C=C/C/C=C\C/C=C\CCC(=O)N[C@H](C)CO.
What is the InChIKey of (4Z,7Z,10Z,12Z,15Z,18Z)-N-[(2R)-1-hydroxypropan-2-yl]henicosa-4,7,10,12,15,18-hexaenamide?
The InChIKey is MNEVPRCUHDRUJY-YTFNXNGVSA-N. The full InChI is InChI=1S/C24H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-23(2)22-26/h4-5,7-8,10-13,15-16,18-19,23,26H,3,6,9,14,17,20-22H2,1-2H3,(H,25,27)/b5-4-,8-7-,11-10-,13-12-,16-15-,19-18-/t23-/m1/s1.
What are the key properties of (4Z,7Z,10Z,12Z,15Z,18Z)-N-[(2R)-1-hydroxypropan-2-yl]henicosa-4,7,10,12,15,18-hexaenamide?
(4Z,7Z,10Z,12Z,15Z,18Z)-N-[(2R)-1-hydroxypropan-2-yl]henicosa-4,7,10,12,15,18-hexaenamide has a molecular weight of 371.57 g/mol, XLogP of 5.57, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,12Z,15Z,18Z)-N-[(2R)-1-hydroxypropan-2-yl]henicosa-4,7,10,12,15,18-hexaenamide is sourced from PubChem (CID 53324040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).