(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-18-phenyloctadeca-5,8,11,14-tetraenamide

C27H39NO2 — CID 44563677

IUPAC(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-18-phenyloctadeca-5,8,11,14-tetraenamide
SMILESC[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCc1ccccc1
InChIInChI=1S/C27H39NO2/c1-25(24-29)28-27(30)23-19-14-12-10-8-6-4-2-3-5-7-9-11-13-16-20-26-21-17-15-18-22-26/h3-6,9-12,15,17-18,21-22,25,29H,2,7-8,13-14,16,19-20,23-24H2,1H3,(H,28,30)/b5-3-,6-4-,11-9-,12-10-/t25-/m1/s1
InChIKeyOJYRRPROJHHDIB-GPRMDNKHSA-N
MW409.61 g/mol
LogP6.07
Rot. Bonds16

About (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-18-phenyloctadeca-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-18-phenyloctadeca-5,8,11,14-tetraenamide (PubChem CID 44563677) has the molecular formula C27H39NO2 and a molecular weight of 409.61 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-18-phenyloctadeca-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-18-phenyloctadeca-5,8,11,14-tetraenamide
PubChem CID44563677
Molecular FormulaC27H39NO2
Molecular Weight409.61 g/mol
Exact Mass409.30
IUPAC Name(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-18-phenyloctadeca-5,8,11,14-tetraenamide
SMILESC[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCc1ccccc1
InChIInChI=1S/C27H39NO2/c1-25(24-29)28-27(30)23-19-14-12-10-8-6-4-2-3-5-7-9-11-13-16-20-26-21-17-15-18-22-26/h3-6,9-12,15,17-18,21-22,25,29H,2,7-8,13-14,16,19-20,23-24H2,1H3,(H,28,30)/b5-3-,6-4-,11-9-,12-10-/t25-/m1/s1
InChIKeyOJYRRPROJHHDIB-GPRMDNKHSA-N
XLogP6.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.61
LogP ≤ 56.07
H-Bond Donors ≤ 52
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-[(2R)-1-hydroxypropan-2-yl]-18-phenyloctadeca-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-18-phenyloctadeca-5,8,11,14-tetraenamide (CID 44563677) is (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-18-phenyloctadeca-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-18-phenyloctadeca-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-18-phenyloctadeca-5,8,11,14-tetraenamide is C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCc1ccccc1.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-18-phenyloctadeca-5,8,11,14-tetraenamide?
The InChIKey is OJYRRPROJHHDIB-GPRMDNKHSA-N. The full InChI is InChI=1S/C27H39NO2/c1-25(24-29)28-27(30)23-19-14-12-10-8-6-4-2-3-5-7-9-11-13-16-20-26-21-17-15-18-22-26/h3-6,9-12,15,17-18,21-22,25,29H,2,7-8,13-14,16,19-20,23-24H2,1H3,(H,28,30)/b5-3-,6-4-,11-9-,12-10-/t25-/m1/s1.
What are the key properties of (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-18-phenyloctadeca-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-18-phenyloctadeca-5,8,11,14-tetraenamide has a molecular weight of 409.61 g/mol, XLogP of 6.07, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-18-phenyloctadeca-5,8,11,14-tetraenamide is sourced from PubChem (CID 44563677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).