N-(1-hydroxypropyl)-N,3,7,11,15-pentamethylhexadeca-2,6,10,14-tetraenamide

C24H41NO2 — CID 173399288

IUPACN-(1-hydroxypropyl)-N,3,7,11,15-pentamethylhexadeca-2,6,10,14-tetraenamide
SMILESCCC(O)N(C)C(=O)C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C24H41NO2/c1-8-23(26)25(7)24(27)18-22(6)17-11-16-21(5)15-10-14-20(4)13-9-12-19(2)3/h12,14,16,18,23,26H,8-11,13,15,17H2,1-7H3
InChIKeyWTRFGPQYFAOJQV-UHFFFAOYSA-N
MW375.60 g/mol
LogP6.32
Rot. Bonds12

About N-(1-hydroxypropyl)-N,3,7,11,15-pentamethylhexadeca-2,6,10,14-tetraenamide

N-(1-hydroxypropyl)-N,3,7,11,15-pentamethylhexadeca-2,6,10,14-tetraenamide (PubChem CID 173399288) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is N-(1-hydroxypropyl)-N,3,7,11,15-pentamethylhexadeca-2,6,10,14-tetraenamide.

Molecular Properties

Compound NameN-(1-hydroxypropyl)-N,3,7,11,15-pentamethylhexadeca-2,6,10,14-tetraenamide
PubChem CID173399288
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC NameN-(1-hydroxypropyl)-N,3,7,11,15-pentamethylhexadeca-2,6,10,14-tetraenamide
SMILESCCC(O)N(C)C(=O)C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C24H41NO2/c1-8-23(26)25(7)24(27)18-22(6)17-11-16-21(5)15-10-14-20(4)13-9-12-19(2)3/h12,14,16,18,23,26H,8-11,13,15,17H2,1-7H3
InChIKeyWTRFGPQYFAOJQV-UHFFFAOYSA-N
XLogP6.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,6E,10E)-N-ethyl-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
CID 88637631
(2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide
CID 11307844
N-hydroxy-N,3,7-trimethylocta-2,6-dienamide
CID 54538014
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid
CID 5275521
3,7,11-trimethyldodeca-2,6,10-trienoyl chloride
CID 57199796
ethyl (2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoate
CID 53482566
ethyl 3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenoate
CID 57102795
ethyl (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate
CID 5366011
2,6,10,14-tetramethylpentadeca-5,9,13-trien-4-one
CID 162269261
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropyl)-N,3,7,11,15-pentamethylhexadeca-2,6,10,14-tetraenamide?
The IUPAC name of N-(1-hydroxypropyl)-N,3,7,11,15-pentamethylhexadeca-2,6,10,14-tetraenamide (CID 173399288) is N-(1-hydroxypropyl)-N,3,7,11,15-pentamethylhexadeca-2,6,10,14-tetraenamide.
What is the SMILES notation for N-(1-hydroxypropyl)-N,3,7,11,15-pentamethylhexadeca-2,6,10,14-tetraenamide?
The canonical SMILES for N-(1-hydroxypropyl)-N,3,7,11,15-pentamethylhexadeca-2,6,10,14-tetraenamide is CCC(O)N(C)C(=O)C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of N-(1-hydroxypropyl)-N,3,7,11,15-pentamethylhexadeca-2,6,10,14-tetraenamide?
The InChIKey is WTRFGPQYFAOJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO2/c1-8-23(26)25(7)24(27)18-22(6)17-11-16-21(5)15-10-14-20(4)13-9-12-19(2)3/h12,14,16,18,23,26H,8-11,13,15,17H2,1-7H3.
What are the key properties of N-(1-hydroxypropyl)-N,3,7,11,15-pentamethylhexadeca-2,6,10,14-tetraenamide?
N-(1-hydroxypropyl)-N,3,7,11,15-pentamethylhexadeca-2,6,10,14-tetraenamide has a molecular weight of 375.60 g/mol, XLogP of 6.32, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropyl)-N,3,7,11,15-pentamethylhexadeca-2,6,10,14-tetraenamide is sourced from PubChem (CID 173399288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).