15-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-1-hydroxypropan-2-yl]pentadeca-5,8,11,14-tetraenamide

C25H39NO2 — CID 91279842

IUPAC15-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-1-hydroxypropan-2-yl]pentadeca-5,8,11,14-tetraenamide
SMILESC[C@H](CO)NC(=O)CCCC=CCC=CCC=CCC=CC1CC2CCC1C2
InChIInChI=1S/C25H39NO2/c1-21(20-27)26-25(28)15-13-11-9-7-5-3-2-4-6-8-10-12-14-23-18-22-16-17-24(23)19-22/h2-3,6-9,12,14,21-24,27H,4-5,10-11,13,15-20H2,1H3,(H,26,28)/t21-,22?,23?,24?/m1/s1
InChIKeyYILYUXGIWYFLFA-CIBMOVPQSA-N
MW385.59 g/mol
LogP5.49
Rot. Bonds13

About 15-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-1-hydroxypropan-2-yl]pentadeca-5,8,11,14-tetraenamide

15-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-1-hydroxypropan-2-yl]pentadeca-5,8,11,14-tetraenamide (PubChem CID 91279842) has the molecular formula C25H39NO2 and a molecular weight of 385.59 g/mol. Its IUPAC name is 15-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-1-hydroxypropan-2-yl]pentadeca-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name15-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-1-hydroxypropan-2-yl]pentadeca-5,8,11,14-tetraenamide
PubChem CID91279842
Molecular FormulaC25H39NO2
Molecular Weight385.59 g/mol
Exact Mass385.30
IUPAC Name15-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-1-hydroxypropan-2-yl]pentadeca-5,8,11,14-tetraenamide
SMILESC[C@H](CO)NC(=O)CCCC=CCC=CCC=CCC=CC1CC2CCC1C2
InChIInChI=1S/C25H39NO2/c1-21(20-27)26-25(28)15-13-11-9-7-5-3-2-4-6-8-10-12-14-23-18-22-16-17-24(23)19-22/h2-3,6-9,12,14,21-24,27H,4-5,10-11,13,15-20H2,1H3,(H,26,28)/t21-,22?,23?,24?/m1/s1
InChIKeyYILYUXGIWYFLFA-CIBMOVPQSA-N
XLogP5.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.59
LogP ≤ 55.49
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'}

Analyze 15-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-1-hydroxypropan-2-yl]pentadeca-5,8,11,14-tetraenamide with MolForge

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Related Compounds

(5E,8E,11E,14E,17E)-N-(1-hydroxypropan-2-yl)icosa-5,8,11,14,17-pentaenamide
CID 171042572
(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16-phenylhexadeca-5,8,11,14-tetraenamide
CID 44563658
(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-20-phenylicosa-5,8,11,14-tetraenamide
CID 44563679
(Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide
CID 53318751
N-(1-hydroxypropan-2-yl)tetracos-15-enamide
CID 173265118
(E)-N-[(2S)-1-hydroxypropan-2-yl]octadec-9-enamide
CID 66509136
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
CID 3500052
(5Z,8Z,11Z,14Z)-19-(furan-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]nonadeca-5,8,11,14-tetraenamide
CID 44563286
20-cyano-N-[(2R)-1-hydroxypropan-2-yl]-16,16-dimethylicosa-5,8,11,14-tetraenamide
CID 91070412
(Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid
CID 70511264
(2S)-2-[[(5E,8Z,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]propanoic acid
CID 125183521
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 63683659

Frequently Asked Questions

What is the IUPAC name of 15-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-1-hydroxypropan-2-yl]pentadeca-5,8,11,14-tetraenamide?
The IUPAC name of 15-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-1-hydroxypropan-2-yl]pentadeca-5,8,11,14-tetraenamide (CID 91279842) is 15-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-1-hydroxypropan-2-yl]pentadeca-5,8,11,14-tetraenamide.
What is the SMILES notation for 15-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-1-hydroxypropan-2-yl]pentadeca-5,8,11,14-tetraenamide?
The canonical SMILES for 15-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-1-hydroxypropan-2-yl]pentadeca-5,8,11,14-tetraenamide is C[C@H](CO)NC(=O)CCCC=CCC=CCC=CCC=CC1CC2CCC1C2.
What is the InChIKey of 15-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-1-hydroxypropan-2-yl]pentadeca-5,8,11,14-tetraenamide?
The InChIKey is YILYUXGIWYFLFA-CIBMOVPQSA-N. The full InChI is InChI=1S/C25H39NO2/c1-21(20-27)26-25(28)15-13-11-9-7-5-3-2-4-6-8-10-12-14-23-18-22-16-17-24(23)19-22/h2-3,6-9,12,14,21-24,27H,4-5,10-11,13,15-20H2,1H3,(H,26,28)/t21-,22?,23?,24?/m1/s1.
What are the key properties of 15-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-1-hydroxypropan-2-yl]pentadeca-5,8,11,14-tetraenamide?
15-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-1-hydroxypropan-2-yl]pentadeca-5,8,11,14-tetraenamide has a molecular weight of 385.59 g/mol, XLogP of 5.49, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-1-hydroxypropan-2-yl]pentadeca-5,8,11,14-tetraenamide is sourced from PubChem (CID 91279842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).