(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-17-phenylheptadeca-5,8,11,14-tetraenamide

C26H37NO2 — CID 44563659

IUPAC(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-17-phenylheptadeca-5,8,11,14-tetraenamide
SMILESC[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCc1ccccc1
InChIInChI=1S/C26H37NO2/c1-24(23-28)27-26(29)22-18-13-11-9-7-5-3-2-4-6-8-10-12-15-19-25-20-16-14-17-21-25/h3-6,9-12,14,16-17,20-21,24,28H,2,7-8,13,15,18-19,22-23H2,1H3,(H,27,29)/b5-3-,6-4-,11-9-,12-10-/t24-/m1/s1
InChIKeyCUSGYEPXHCHJLA-ADWDLVTFSA-N
MW395.59 g/mol
LogP5.68
Rot. Bonds15

About (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-17-phenylheptadeca-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-17-phenylheptadeca-5,8,11,14-tetraenamide (PubChem CID 44563659) has the molecular formula C26H37NO2 and a molecular weight of 395.59 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-17-phenylheptadeca-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-17-phenylheptadeca-5,8,11,14-tetraenamide
PubChem CID44563659
Molecular FormulaC26H37NO2
Molecular Weight395.59 g/mol
Exact Mass395.28
IUPAC Name(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-17-phenylheptadeca-5,8,11,14-tetraenamide
SMILESC[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCc1ccccc1
InChIInChI=1S/C26H37NO2/c1-24(23-28)27-26(29)22-18-13-11-9-7-5-3-2-4-6-8-10-12-15-19-25-20-16-14-17-21-25/h3-6,9-12,14,16-17,20-21,24,28H,2,7-8,13,15,18-19,22-23H2,1H3,(H,27,29)/b5-3-,6-4-,11-9-,12-10-/t24-/m1/s1
InChIKeyCUSGYEPXHCHJLA-ADWDLVTFSA-N
XLogP5.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 55.68
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]-17-phenylheptadeca-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-17-phenylheptadeca-5,8,11,14-tetraenamide (CID 44563659) is (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-17-phenylheptadeca-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-17-phenylheptadeca-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-17-phenylheptadeca-5,8,11,14-tetraenamide is C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCc1ccccc1.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-17-phenylheptadeca-5,8,11,14-tetraenamide?
The InChIKey is CUSGYEPXHCHJLA-ADWDLVTFSA-N. The full InChI is InChI=1S/C26H37NO2/c1-24(23-28)27-26(29)22-18-13-11-9-7-5-3-2-4-6-8-10-12-15-19-25-20-16-14-17-21-25/h3-6,9-12,14,16-17,20-21,24,28H,2,7-8,13,15,18-19,22-23H2,1H3,(H,27,29)/b5-3-,6-4-,11-9-,12-10-/t24-/m1/s1.
What are the key properties of (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-17-phenylheptadeca-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-17-phenylheptadeca-5,8,11,14-tetraenamide has a molecular weight of 395.59 g/mol, XLogP of 5.68, 15 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]-17-phenylheptadeca-5,8,11,14-tetraenamide is sourced from PubChem (CID 44563659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).