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

C25H43NO2 — CID 88637631

IUPAC(2E,6E,10E)-N-ethyl-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
SMILESCCC(O)N(CC)C(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C25H43NO2/c1-8-24(27)26(9-2)25(28)19-23(7)18-12-17-22(6)16-11-15-21(5)14-10-13-20(3)4/h13,15,17,19,24,27H,8-12,14,16,18H2,1-7H3/b21-15+,22-17+,23-19+
InChIKeyKZDLFJHHVNOXAK-RVJCXMCQSA-N
MW389.62 g/mol
LogP6.71
Rot. Bonds13

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

(2E,6E,10E)-N-ethyl-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide (PubChem CID 88637631) has the molecular formula C25H43NO2 and a molecular weight of 389.62 g/mol. Its IUPAC name is (2E,6E,10E)-N-ethyl-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide.

Molecular Properties

Compound Name(2E,6E,10E)-N-ethyl-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
PubChem CID88637631
Molecular FormulaC25H43NO2
Molecular Weight389.62 g/mol
Exact Mass389.33
IUPAC Name(2E,6E,10E)-N-ethyl-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
SMILESCCC(O)N(CC)C(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C25H43NO2/c1-8-24(27)26(9-2)25(28)19-23(7)18-12-17-22(6)16-11-15-21(5)14-10-13-20(3)4/h13,15,17,19,24,27H,8-12,14,16,18H2,1-7H3/b21-15+,22-17+,23-19+
InChIKeyKZDLFJHHVNOXAK-RVJCXMCQSA-N
XLogP6.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.62
LogP ≤ 56.71
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

N-(1-hydroxypropyl)-N,3,7,11,15-pentamethylhexadeca-2,6,10,14-tetraenamide
CID 173399288
(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
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E)-N-ethyl-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
The IUPAC name of (2E,6E,10E)-N-ethyl-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide (CID 88637631) is (2E,6E,10E)-N-ethyl-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide.
What is the SMILES notation for (2E,6E,10E)-N-ethyl-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
The canonical SMILES for (2E,6E,10E)-N-ethyl-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide is CCC(O)N(CC)C(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E,6E,10E)-N-ethyl-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
The InChIKey is KZDLFJHHVNOXAK-RVJCXMCQSA-N. The full InChI is InChI=1S/C25H43NO2/c1-8-24(27)26(9-2)25(28)19-23(7)18-12-17-22(6)16-11-15-21(5)14-10-13-20(3)4/h13,15,17,19,24,27H,8-12,14,16,18H2,1-7H3/b21-15+,22-17+,23-19+.
What are the key properties of (2E,6E,10E)-N-ethyl-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
(2E,6E,10E)-N-ethyl-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide has a molecular weight of 389.62 g/mol, XLogP of 6.71, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-N-ethyl-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide is sourced from PubChem (CID 88637631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).