N-(3-hydroxypropyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide

C28H47NO2 — CID 54543610

IUPACN-(3-hydroxypropyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC(=O)NCCCO
InChIInChI=1S/C28H47NO2/c1-23(2)12-7-13-24(3)14-8-15-25(4)16-9-17-26(5)18-10-19-27(6)22-28(31)29-20-11-21-30/h12,14,16,18,22,30H,7-11,13,15,17,19-21H2,1-6H3,(H,29,31)
InChIKeyZEZJRAKMSZARIV-UHFFFAOYSA-N
MW429.69 g/mol
LogP7.36
Rot. Bonds16

About N-(3-hydroxypropyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide

N-(3-hydroxypropyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide (PubChem CID 54543610) has the molecular formula C28H47NO2 and a molecular weight of 429.69 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide
PubChem CID54543610
Molecular FormulaC28H47NO2
Molecular Weight429.69 g/mol
Exact Mass429.36
IUPAC NameN-(3-hydroxypropyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC(=O)NCCCO
InChIInChI=1S/C28H47NO2/c1-23(2)12-7-13-24(3)14-8-15-25(4)16-9-17-26(5)18-10-19-27(6)22-28(31)29-20-11-21-30/h12,14,16,18,22,30H,7-11,13,15,17,19-21H2,1-6H3,(H,29,31)
InChIKeyZEZJRAKMSZARIV-UHFFFAOYSA-N
XLogP7.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.69
LogP ≤ 57.36
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide?
The IUPAC name of N-(3-hydroxypropyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide (CID 54543610) is N-(3-hydroxypropyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide.
What is the SMILES notation for N-(3-hydroxypropyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide?
The canonical SMILES for N-(3-hydroxypropyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide is CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide?
The InChIKey is ZEZJRAKMSZARIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H47NO2/c1-23(2)12-7-13-24(3)14-8-15-25(4)16-9-17-26(5)18-10-19-27(6)22-28(31)29-20-11-21-30/h12,14,16,18,22,30H,7-11,13,15,17,19-21H2,1-6H3,(H,29,31).
What are the key properties of N-(3-hydroxypropyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide?
N-(3-hydroxypropyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide has a molecular weight of 429.69 g/mol, XLogP of 7.36, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide is sourced from PubChem (CID 54543610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).