N-(2-hydroxycyclopropyl)icosa-5,8,11,14-tetraenamide

C23H37NO2 — CID 74822063

IUPACN-(2-hydroxycyclopropyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)NC1CC1O
InChIInChI=1S/C23H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)24-21-20-22(21)25/h6-7,9-10,12-13,15-16,21-22,25H,2-5,8,11,14,17-20H2,1H3,(H,24,26)
InChIKeyLZHCSJBKBARIFQ-UHFFFAOYSA-N
MW359.55 g/mol
LogP5.38
Rot. Bonds15

About N-(2-hydroxycyclopropyl)icosa-5,8,11,14-tetraenamide

N-(2-hydroxycyclopropyl)icosa-5,8,11,14-tetraenamide (PubChem CID 74822063) has the molecular formula C23H37NO2 and a molecular weight of 359.55 g/mol. Its IUPAC name is N-(2-hydroxycyclopropyl)icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound NameN-(2-hydroxycyclopropyl)icosa-5,8,11,14-tetraenamide
PubChem CID74822063
Molecular FormulaC23H37NO2
Molecular Weight359.55 g/mol
Exact Mass359.28
IUPAC NameN-(2-hydroxycyclopropyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)NC1CC1O
InChIInChI=1S/C23H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)24-21-20-22(21)25/h6-7,9-10,12-13,15-16,21-22,25H,2-5,8,11,14,17-20H2,1H3,(H,24,26)
InChIKeyLZHCSJBKBARIFQ-UHFFFAOYSA-N
XLogP5.38
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 ≤ 55.38
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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Related Compounds

(5Z,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide
CID 124933455
(5E,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide
CID 6380021
(9Z,12Z)-N-[(1S,2R)-2-[[(10Z,13Z)-nonadeca-1,10,13-trien-2-yl]amino]cyclopropyl]octadeca-9,12-dienamide
CID 89399914
hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid
CID 173088002
(5Z,8E,11E,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 122652036
(5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid
CID 101342439
hydrogen peroxide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 87473865
(5E,8E,14E)-icosa-5,8,14-trienoic acid
CID 6439516
butanedioic acid;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 161044709
(5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid
CID 10591671
octadeca-5,8,12-trienoic acid
CID 173410931
CID 87290377
CID 87290377

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclopropyl)icosa-5,8,11,14-tetraenamide?
The IUPAC name of N-(2-hydroxycyclopropyl)icosa-5,8,11,14-tetraenamide (CID 74822063) is N-(2-hydroxycyclopropyl)icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for N-(2-hydroxycyclopropyl)icosa-5,8,11,14-tetraenamide?
The canonical SMILES for N-(2-hydroxycyclopropyl)icosa-5,8,11,14-tetraenamide is CCCCCC=CCC=CCC=CCC=CCCCC(=O)NC1CC1O.
What is the InChIKey of N-(2-hydroxycyclopropyl)icosa-5,8,11,14-tetraenamide?
The InChIKey is LZHCSJBKBARIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)24-21-20-22(21)25/h6-7,9-10,12-13,15-16,21-22,25H,2-5,8,11,14,17-20H2,1H3,(H,24,26).
What are the key properties of N-(2-hydroxycyclopropyl)icosa-5,8,11,14-tetraenamide?
N-(2-hydroxycyclopropyl)icosa-5,8,11,14-tetraenamide has a molecular weight of 359.55 g/mol, XLogP of 5.38, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclopropyl)icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 74822063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).