(2E,4E,6Z,8E,10E,12R,13R,14E)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14-tetramethylheptadeca-2,4,6,8,10,14-hexaenamide

C24H37NO3 — CID 11954001

IUPAC(2E,4E,6Z,8E,10E,12R,13R,14E)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14-tetramethylheptadeca-2,4,6,8,10,14-hexaenamide
SMILESCC/C=C(\C)[C@H](O)[C@H](C)/C=C(C)/C=C/C=C\C=C\C=C(/C)C(=O)N[C@@H](C)CO
InChIInChI=1S/C24H37NO3/c1-7-13-19(3)23(27)21(5)16-18(2)14-11-9-8-10-12-15-20(4)24(28)25-22(6)17-26/h8-16,21-23,26-27H,7,17H2,1-6H3,(H,25,28)/b9-8-,12-10+,14-11+,18-16+,19-13+,20-15+/t21-,22+,23+/m1/s1
InChIKeyQGJPEZISMDKYLK-HSSWLXNDSA-N
MW387.56 g/mol
LogP4.40
Rot. Bonds11

About (2E,4E,6Z,8E,10E,12R,13R,14E)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14-tetramethylheptadeca-2,4,6,8,10,14-hexaenamide

(2E,4E,6Z,8E,10E,12R,13R,14E)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14-tetramethylheptadeca-2,4,6,8,10,14-hexaenamide (PubChem CID 11954001) has the molecular formula C24H37NO3 and a molecular weight of 387.56 g/mol. Its IUPAC name is (2E,4E,6Z,8E,10E,12R,13R,14E)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14-tetramethylheptadeca-2,4,6,8,10,14-hexaenamide.

Molecular Properties

Compound Name(2E,4E,6Z,8E,10E,12R,13R,14E)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14-tetramethylheptadeca-2,4,6,8,10,14-hexaenamide
PubChem CID11954001
Molecular FormulaC24H37NO3
Molecular Weight387.56 g/mol
Exact Mass387.28
IUPAC Name(2E,4E,6Z,8E,10E,12R,13R,14E)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14-tetramethylheptadeca-2,4,6,8,10,14-hexaenamide
SMILESCC/C=C(\C)[C@H](O)[C@H](C)/C=C(C)/C=C/C=C\C=C\C=C(/C)C(=O)N[C@@H](C)CO
InChIInChI=1S/C24H37NO3/c1-7-13-19(3)23(27)21(5)16-18(2)14-11-9-8-10-12-15-20(4)24(28)25-22(6)17-26/h8-16,21-23,26-27H,7,17H2,1-6H3,(H,25,28)/b9-8-,12-10+,14-11+,18-16+,19-13+,20-15+/t21-,22+,23+/m1/s1
InChIKeyQGJPEZISMDKYLK-HSSWLXNDSA-N
XLogP4.40
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.56
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z,8E,10E,12R,13R,14E)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14-tetramethylheptadeca-2,4,6,8,10,14-hexaenamide?
The IUPAC name of (2E,4E,6Z,8E,10E,12R,13R,14E)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14-tetramethylheptadeca-2,4,6,8,10,14-hexaenamide (CID 11954001) is (2E,4E,6Z,8E,10E,12R,13R,14E)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14-tetramethylheptadeca-2,4,6,8,10,14-hexaenamide.
What is the SMILES notation for (2E,4E,6Z,8E,10E,12R,13R,14E)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14-tetramethylheptadeca-2,4,6,8,10,14-hexaenamide?
The canonical SMILES for (2E,4E,6Z,8E,10E,12R,13R,14E)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14-tetramethylheptadeca-2,4,6,8,10,14-hexaenamide is CC/C=C(\C)[C@H](O)[C@H](C)/C=C(C)/C=C/C=C\C=C\C=C(/C)C(=O)N[C@@H](C)CO.
What is the InChIKey of (2E,4E,6Z,8E,10E,12R,13R,14E)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14-tetramethylheptadeca-2,4,6,8,10,14-hexaenamide?
The InChIKey is QGJPEZISMDKYLK-HSSWLXNDSA-N. The full InChI is InChI=1S/C24H37NO3/c1-7-13-19(3)23(27)21(5)16-18(2)14-11-9-8-10-12-15-20(4)24(28)25-22(6)17-26/h8-16,21-23,26-27H,7,17H2,1-6H3,(H,25,28)/b9-8-,12-10+,14-11+,18-16+,19-13+,20-15+/t21-,22+,23+/m1/s1.
What are the key properties of (2E,4E,6Z,8E,10E,12R,13R,14E)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14-tetramethylheptadeca-2,4,6,8,10,14-hexaenamide?
(2E,4E,6Z,8E,10E,12R,13R,14E)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14-tetramethylheptadeca-2,4,6,8,10,14-hexaenamide has a molecular weight of 387.56 g/mol, XLogP of 4.40, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z,8E,10E,12R,13R,14E)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14-tetramethylheptadeca-2,4,6,8,10,14-hexaenamide is sourced from PubChem (CID 11954001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).