(2E,6Z,10E)-N,N-diethyl-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenamide

C24H41NO2 — CID 88779340

IUPAC(2E,6Z,10E)-N,N-diethyl-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenamide
SMILESCCN(CC)C(=O)/C=C(\C)CC/C=C(\CO)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C24H41NO2/c1-7-25(8-2)24(27)18-22(6)15-11-17-23(19-26)16-10-14-21(5)13-9-12-20(3)4/h12,14,17-18,26H,7-11,13,15-16,19H2,1-6H3/b21-14+,22-18+,23-17-
InChIKeyBAENWRWJWJWGRS-VJLIFRLVSA-N
MW375.60 g/mol
LogP5.97
Rot. Bonds13

About (2E,6Z,10E)-N,N-diethyl-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenamide

(2E,6Z,10E)-N,N-diethyl-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenamide (PubChem CID 88779340) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is (2E,6Z,10E)-N,N-diethyl-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenamide.

Molecular Properties

Compound Name(2E,6Z,10E)-N,N-diethyl-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenamide
PubChem CID88779340
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC Name(2E,6Z,10E)-N,N-diethyl-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenamide
SMILESCCN(CC)C(=O)/C=C(\C)CC/C=C(\CO)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C24H41NO2/c1-7-25(8-2)24(27)18-22(6)15-11-17-23(19-26)16-10-14-21(5)13-9-12-20(3)4/h12,14,17-18,26H,7-11,13,15-16,19H2,1-6H3/b21-14+,22-18+,23-17-
InChIKeyBAENWRWJWJWGRS-VJLIFRLVSA-N
XLogP5.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (2E,6Z,10E)-N,N-diethyl-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenamide?
The IUPAC name of (2E,6Z,10E)-N,N-diethyl-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenamide (CID 88779340) is (2E,6Z,10E)-N,N-diethyl-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenamide.
What is the SMILES notation for (2E,6Z,10E)-N,N-diethyl-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenamide?
The canonical SMILES for (2E,6Z,10E)-N,N-diethyl-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenamide is CCN(CC)C(=O)/C=C(\C)CC/C=C(\CO)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E,6Z,10E)-N,N-diethyl-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenamide?
The InChIKey is BAENWRWJWJWGRS-VJLIFRLVSA-N. The full InChI is InChI=1S/C24H41NO2/c1-7-25(8-2)24(27)18-22(6)15-11-17-23(19-26)16-10-14-21(5)13-9-12-20(3)4/h12,14,17-18,26H,7-11,13,15-16,19H2,1-6H3/b21-14+,22-18+,23-17-.
What are the key properties of (2E,6Z,10E)-N,N-diethyl-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenamide?
(2E,6Z,10E)-N,N-diethyl-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenamide has a molecular weight of 375.60 g/mol, XLogP of 5.97, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z,10E)-N,N-diethyl-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenamide is sourced from PubChem (CID 88779340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).