(5E,8E,11E,14E,17E)-N-(1-hydroxypropan-2-yl)icosa-5,8,11,14,17-pentaenamide

C23H37NO2 — CID 171042572

IUPAC(5E,8E,11E,14E,17E)-N-(1-hydroxypropan-2-yl)icosa-5,8,11,14,17-pentaenamide
SMILESCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NC(C)CO
InChIInChI=1S/C23H37NO2/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/h4-5,7-8,10-11,13-14,16-17,22,25H,3,6,9,12,15,18-21H2,1-2H3,(H,24,26)/b5-4+,8-7+,11-10+,14-13+,17-16+
InChIKeyXOYVLIGJHWVUFH-ZACMJQCDSA-N
MW359.55 g/mol
LogP5.41
Rot. Bonds15

About (5E,8E,11E,14E,17E)-N-(1-hydroxypropan-2-yl)icosa-5,8,11,14,17-pentaenamide

(5E,8E,11E,14E,17E)-N-(1-hydroxypropan-2-yl)icosa-5,8,11,14,17-pentaenamide (PubChem CID 171042572) has the molecular formula C23H37NO2 and a molecular weight of 359.55 g/mol. Its IUPAC name is (5E,8E,11E,14E,17E)-N-(1-hydroxypropan-2-yl)icosa-5,8,11,14,17-pentaenamide.

Molecular Properties

Compound Name(5E,8E,11E,14E,17E)-N-(1-hydroxypropan-2-yl)icosa-5,8,11,14,17-pentaenamide
PubChem CID171042572
Molecular FormulaC23H37NO2
Molecular Weight359.55 g/mol
Exact Mass359.28
IUPAC Name(5E,8E,11E,14E,17E)-N-(1-hydroxypropan-2-yl)icosa-5,8,11,14,17-pentaenamide
SMILESCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NC(C)CO
InChIInChI=1S/C23H37NO2/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/h4-5,7-8,10-11,13-14,16-17,22,25H,3,6,9,12,15,18-21H2,1-2H3,(H,24,26)/b5-4+,8-7+,11-10+,14-13+,17-16+
InChIKeyXOYVLIGJHWVUFH-ZACMJQCDSA-N
XLogP5.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.55
LogP ≤ 55.41
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 (5E,8E,11E,14E,17E)-N-(1-hydroxypropan-2-yl)icosa-5,8,11,14,17-pentaenamide with MolForge

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Launch Full Analysis

Related Compounds

(E)-N-[1-[methyl-[2-[[(E)-oct-5-enoyl]amino]propyl]amino]propan-2-yl]oct-5-enamide
CID 102116531
2-[[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]amino]-3-methylbutanoic acid
CID 122452849
(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
(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
(5Z,8Z,11Z,14Z,17Z)-N-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide
CID 53374375
(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
(5Z,8Z,11Z,14Z,17Z,20Z,23Z)-N-[(4E,8E)-1,3-dihydroxytrideca-4,8-dien-2-yl]hexacosa-5,8,11,14,17,20,23-heptaenamide
CID 164509142
2-[[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]amino]-3-hydroxypropanoic acid
CID 156963080

Frequently Asked Questions

What is the IUPAC name of (5E,8E,11E,14E,17E)-N-(1-hydroxypropan-2-yl)icosa-5,8,11,14,17-pentaenamide?
The IUPAC name of (5E,8E,11E,14E,17E)-N-(1-hydroxypropan-2-yl)icosa-5,8,11,14,17-pentaenamide (CID 171042572) is (5E,8E,11E,14E,17E)-N-(1-hydroxypropan-2-yl)icosa-5,8,11,14,17-pentaenamide.
What is the SMILES notation for (5E,8E,11E,14E,17E)-N-(1-hydroxypropan-2-yl)icosa-5,8,11,14,17-pentaenamide?
The canonical SMILES for (5E,8E,11E,14E,17E)-N-(1-hydroxypropan-2-yl)icosa-5,8,11,14,17-pentaenamide is CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NC(C)CO.
What is the InChIKey of (5E,8E,11E,14E,17E)-N-(1-hydroxypropan-2-yl)icosa-5,8,11,14,17-pentaenamide?
The InChIKey is XOYVLIGJHWVUFH-ZACMJQCDSA-N. The full InChI is InChI=1S/C23H37NO2/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/h4-5,7-8,10-11,13-14,16-17,22,25H,3,6,9,12,15,18-21H2,1-2H3,(H,24,26)/b5-4+,8-7+,11-10+,14-13+,17-16+.
What are the key properties of (5E,8E,11E,14E,17E)-N-(1-hydroxypropan-2-yl)icosa-5,8,11,14,17-pentaenamide?
(5E,8E,11E,14E,17E)-N-(1-hydroxypropan-2-yl)icosa-5,8,11,14,17-pentaenamide has a molecular weight of 359.55 g/mol, XLogP of 5.41, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,8E,11E,14E,17E)-N-(1-hydroxypropan-2-yl)icosa-5,8,11,14,17-pentaenamide is sourced from PubChem (CID 171042572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).