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

C23H39NO2 — CID 6610214

IUPACN-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)N[C@H](C)CO
InChIInChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/t22-/m1/s1
InChIKeySQKRUBZPTNJQEM-JOCHJYFZSA-N
MW361.57 g/mol
LogP5.63
Rot. Bonds16

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

N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide (PubChem CID 6610214) has the molecular formula C23H39NO2 and a molecular weight of 361.57 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide
PubChem CID6610214
Molecular FormulaC23H39NO2
Molecular Weight361.57 g/mol
Exact Mass361.30
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)N[C@H](C)CO
InChIInChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/t22-/m1/s1
InChIKeySQKRUBZPTNJQEM-JOCHJYFZSA-N
XLogP5.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 55.63
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 N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide (CID 6610214) is N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide is CCCCCC=CCC=CCC=CCC=CCCCC(=O)N[C@H](C)CO.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide?
The InChIKey is SQKRUBZPTNJQEM-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/t22-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide?
N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide has a molecular weight of 361.57 g/mol, XLogP of 5.63, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 6610214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).