(2E,5E,12E)-N-[(2S)-1-hydroxypropan-2-yl]-2,6,10-trimethyl-14-phenyltetradeca-2,5,12-trienamide

C26H39NO2 — CID 139585718

IUPAC(2E,5E,12E)-N-[(2S)-1-hydroxypropan-2-yl]-2,6,10-trimethyl-14-phenyltetradeca-2,5,12-trienamide
SMILESC/C(=C\C/C=C(\C)C(=O)N[C@@H](C)CO)CCCC(C)C/C=C/Cc1ccccc1
InChIInChI=1S/C26H39NO2/c1-21(12-8-9-19-25-17-6-5-7-18-25)13-10-14-22(2)15-11-16-23(3)26(29)27-24(4)20-28/h5-9,15-18,21,24,28H,10-14,19-20H2,1-4H3,(H,27,29)/b9-8+,22-15+,23-16+/t21?,24-/m0/s1
InChIKeyWPEONPKBEAMEPE-JJJYXDOVSA-N
MW397.60 g/mol
LogP5.76
Rot. Bonds13

About (2E,5E,12E)-N-[(2S)-1-hydroxypropan-2-yl]-2,6,10-trimethyl-14-phenyltetradeca-2,5,12-trienamide

(2E,5E,12E)-N-[(2S)-1-hydroxypropan-2-yl]-2,6,10-trimethyl-14-phenyltetradeca-2,5,12-trienamide (PubChem CID 139585718) has the molecular formula C26H39NO2 and a molecular weight of 397.60 g/mol. Its IUPAC name is (2E,5E,12E)-N-[(2S)-1-hydroxypropan-2-yl]-2,6,10-trimethyl-14-phenyltetradeca-2,5,12-trienamide.

Molecular Properties

Compound Name(2E,5E,12E)-N-[(2S)-1-hydroxypropan-2-yl]-2,6,10-trimethyl-14-phenyltetradeca-2,5,12-trienamide
PubChem CID139585718
Molecular FormulaC26H39NO2
Molecular Weight397.60 g/mol
Exact Mass397.30
IUPAC Name(2E,5E,12E)-N-[(2S)-1-hydroxypropan-2-yl]-2,6,10-trimethyl-14-phenyltetradeca-2,5,12-trienamide
SMILESC/C(=C\C/C=C(\C)C(=O)N[C@@H](C)CO)CCCC(C)C/C=C/Cc1ccccc1
InChIInChI=1S/C26H39NO2/c1-21(12-8-9-19-25-17-6-5-7-18-25)13-10-14-22(2)15-11-16-23(3)26(29)27-24(4)20-28/h5-9,15-18,21,24,28H,10-14,19-20H2,1-4H3,(H,27,29)/b9-8+,22-15+,23-16+/t21?,24-/m0/s1
InChIKeyWPEONPKBEAMEPE-JJJYXDOVSA-N
XLogP5.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.60
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,5E,12E)-N-[(2S)-1-hydroxypropan-2-yl]-2,6,10-trimethyl-14-phenyltetradeca-2,5,12-trienamide?
The IUPAC name of (2E,5E,12E)-N-[(2S)-1-hydroxypropan-2-yl]-2,6,10-trimethyl-14-phenyltetradeca-2,5,12-trienamide (CID 139585718) is (2E,5E,12E)-N-[(2S)-1-hydroxypropan-2-yl]-2,6,10-trimethyl-14-phenyltetradeca-2,5,12-trienamide.
What is the SMILES notation for (2E,5E,12E)-N-[(2S)-1-hydroxypropan-2-yl]-2,6,10-trimethyl-14-phenyltetradeca-2,5,12-trienamide?
The canonical SMILES for (2E,5E,12E)-N-[(2S)-1-hydroxypropan-2-yl]-2,6,10-trimethyl-14-phenyltetradeca-2,5,12-trienamide is C/C(=C\C/C=C(\C)C(=O)N[C@@H](C)CO)CCCC(C)C/C=C/Cc1ccccc1.
What is the InChIKey of (2E,5E,12E)-N-[(2S)-1-hydroxypropan-2-yl]-2,6,10-trimethyl-14-phenyltetradeca-2,5,12-trienamide?
The InChIKey is WPEONPKBEAMEPE-JJJYXDOVSA-N. The full InChI is InChI=1S/C26H39NO2/c1-21(12-8-9-19-25-17-6-5-7-18-25)13-10-14-22(2)15-11-16-23(3)26(29)27-24(4)20-28/h5-9,15-18,21,24,28H,10-14,19-20H2,1-4H3,(H,27,29)/b9-8+,22-15+,23-16+/t21?,24-/m0/s1.
What are the key properties of (2E,5E,12E)-N-[(2S)-1-hydroxypropan-2-yl]-2,6,10-trimethyl-14-phenyltetradeca-2,5,12-trienamide?
(2E,5E,12E)-N-[(2S)-1-hydroxypropan-2-yl]-2,6,10-trimethyl-14-phenyltetradeca-2,5,12-trienamide has a molecular weight of 397.60 g/mol, XLogP of 5.76, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E,12E)-N-[(2S)-1-hydroxypropan-2-yl]-2,6,10-trimethyl-14-phenyltetradeca-2,5,12-trienamide is sourced from PubChem (CID 139585718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).