N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide

C23H39NO2 — CID 54423907

IUPACN-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC(=O)NCCCO
InChIInChI=1S/C23H39NO2/c1-19(2)10-6-11-20(3)12-7-13-21(4)14-8-15-22(5)18-23(26)24-16-9-17-25/h10,12,14,18,25H,6-9,11,13,15-17H2,1-5H3,(H,24,26)
InChIKeyWCSKGQJJNHUXDQ-UHFFFAOYSA-N
MW361.57 g/mol
LogP5.63
Rot. Bonds13

About N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide

N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide (PubChem CID 54423907) has the molecular formula C23H39NO2 and a molecular weight of 361.57 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
PubChem CID54423907
Molecular FormulaC23H39NO2
Molecular Weight361.57 g/mol
Exact Mass361.30
IUPAC NameN-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC(=O)NCCCO
InChIInChI=1S/C23H39NO2/c1-19(2)10-6-11-20(3)12-7-13-21(4)14-8-15-22(5)18-23(26)24-16-9-17-25/h10,12,14,18,25H,6-9,11,13,15-17H2,1-5H3,(H,24,26)
InChIKeyWCSKGQJJNHUXDQ-UHFFFAOYSA-N
XLogP5.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide with MolForge

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Related Compounds

Semiplenamide A
CID 10384247
Semiplenamide C
CID 11347939
(2E)-N-[3-[4-(3-aminopropoxy)butoxy]propyl]-3,7-dimethylocta-2,6-dienamide
CID 71525273
N-(2-hydroxyethyl)-2-methylicosa-2,6-dienamide
CID 85128014
N-(2-methyl-2Z-hexadecenoyl)-1-hydroxypropyl-2(S)-amine
CID 178328660
N-(2-methyl-2Z,6E-eicosadienoyl)-ethanolamine
CID 178328693
(3E,5E,7E,12Z,14E,16E,18E)-20-[(E)-hex-2-enyl]-10-hydroxy-7,16-dimethyl-1-azacycloicosa-3,5,7,12,14,16,18-heptaen-2-one
CID 139255877
(2E,4E,8Z,11E)-N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
CID 5318234
(2E,6E)-N-(2-hydroxyethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide
CID 21297933
(2E,6E,10E,14E)-N-(2-hydroxyethyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide
CID 21297950
(2E,6E,10E)-N-(2-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
CID 21297982
(E)-N-(1-hydroxypropan-2-yl)-2-methylhexadec-2-enamide
CID 21589498

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
The IUPAC name of N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide (CID 54423907) is N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide.
What is the SMILES notation for N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
The canonical SMILES for N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide is CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
The InChIKey is WCSKGQJJNHUXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO2/c1-19(2)10-6-11-20(3)12-7-13-21(4)14-8-15-22(5)18-23(26)24-16-9-17-25/h10,12,14,18,25H,6-9,11,13,15-17H2,1-5H3,(H,24,26).
What are the key properties of N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide has a molecular weight of 361.57 g/mol, XLogP of 5.63, 13 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-tetramethylhexadeca-2,6,10,14-tetraenamide is sourced from PubChem (CID 54423907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).