N-(2-hydroxy-2-pentylheptyl)hexadeca-2,4,8,10,12-pentaenamide

C28H47NO2 — CID 151144325

IUPACN-(2-hydroxy-2-pentylheptyl)hexadeca-2,4,8,10,12-pentaenamide
SMILESCCCC=CC=CC=CCCC=CC=CC(=O)NCC(O)(CCCCC)CCCCC
InChIInChI=1S/C28H47NO2/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-23-27(30)29-26-28(31,24-21-8-5-2)25-22-9-6-3/h10-15,18-20,23,31H,4-9,16-17,21-22,24-26H2,1-3H3,(H,29,30)
InChIKeyMWWFIZTVLVPBSU-UHFFFAOYSA-N
MW429.69 g/mol
LogP7.36
Rot. Bonds19

About N-(2-hydroxy-2-pentylheptyl)hexadeca-2,4,8,10,12-pentaenamide

N-(2-hydroxy-2-pentylheptyl)hexadeca-2,4,8,10,12-pentaenamide (PubChem CID 151144325) has the molecular formula C28H47NO2 and a molecular weight of 429.69 g/mol. Its IUPAC name is N-(2-hydroxy-2-pentylheptyl)hexadeca-2,4,8,10,12-pentaenamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-pentylheptyl)hexadeca-2,4,8,10,12-pentaenamide
PubChem CID151144325
Molecular FormulaC28H47NO2
Molecular Weight429.69 g/mol
Exact Mass429.36
IUPAC NameN-(2-hydroxy-2-pentylheptyl)hexadeca-2,4,8,10,12-pentaenamide
SMILESCCCC=CC=CC=CCCC=CC=CC(=O)NCC(O)(CCCCC)CCCCC
InChIInChI=1S/C28H47NO2/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-23-27(30)29-26-28(31,24-21-8-5-2)25-22-9-6-3/h10-15,18-20,23,31H,4-9,16-17,21-22,24-26H2,1-3H3,(H,29,30)
InChIKeyMWWFIZTVLVPBSU-UHFFFAOYSA-N
XLogP7.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-(2-hydroxy-2-pentylheptyl)hexadeca-2,4,8,10,12-pentaenamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-butyl-2-hydroxyoctyl)nonadeca-2,4,8,10,12,14-hexaenamide
CID 150873593
N-(2-butyl-2-hydroxyoctyl)pentadeca-2,4,6,10,12-pentaenamide
CID 150083010
N-(2-ethyl-2-hydroxyhexyl)hexadeca-2,6,8,10,12-pentaenamide
CID 151325633
N-(2-butyl-2-hydroxyoctyl)tetradeca-2,6,8,10,12-pentaenamide
CID 152597506
N-(2-ethyl-2-hydroxypentyl)heptadeca-2,4,6,10,12-pentaenamide
CID 150184396
N-(2-hydroxy-2-propylhexyl)heptadeca-2,6,8,10,12-pentaenamide
CID 150342686
N-(2-ethyl-2-hydroxyheptyl)tetradeca-2,6,8,10,12-pentaenamide
CID 152517013
N-(2-hydroxy-2-methylpropyl)nonadeca-2,4,8,10,12,14-hexaenamide
CID 172859631
N-(2-hydroxy-2-methylhexyl)octadeca-2,6,8,10,12-pentaenamide
CID 152556040
N-(2-hydroxy-2-methylbutyl)pentadeca-2,4,6,10,12-pentaenamide
CID 150590728
(2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide
CID 175711571
(2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide
CID 149163052

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-pentylheptyl)hexadeca-2,4,8,10,12-pentaenamide?
The IUPAC name of N-(2-hydroxy-2-pentylheptyl)hexadeca-2,4,8,10,12-pentaenamide (CID 151144325) is N-(2-hydroxy-2-pentylheptyl)hexadeca-2,4,8,10,12-pentaenamide.
What is the SMILES notation for N-(2-hydroxy-2-pentylheptyl)hexadeca-2,4,8,10,12-pentaenamide?
The canonical SMILES for N-(2-hydroxy-2-pentylheptyl)hexadeca-2,4,8,10,12-pentaenamide is CCCC=CC=CC=CCCC=CC=CC(=O)NCC(O)(CCCCC)CCCCC.
What is the InChIKey of N-(2-hydroxy-2-pentylheptyl)hexadeca-2,4,8,10,12-pentaenamide?
The InChIKey is MWWFIZTVLVPBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H47NO2/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-23-27(30)29-26-28(31,24-21-8-5-2)25-22-9-6-3/h10-15,18-20,23,31H,4-9,16-17,21-22,24-26H2,1-3H3,(H,29,30).
What are the key properties of N-(2-hydroxy-2-pentylheptyl)hexadeca-2,4,8,10,12-pentaenamide?
N-(2-hydroxy-2-pentylheptyl)hexadeca-2,4,8,10,12-pentaenamide has a molecular weight of 429.69 g/mol, XLogP of 7.36, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-pentylheptyl)hexadeca-2,4,8,10,12-pentaenamide is sourced from PubChem (CID 151144325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).