(2E,6E,10E,14E)-N-[2-(dimethylamino)ethyl]-3,7,11-trimethylheptadeca-2,6,10,14-tetraenamide

C24H42N2O — CID 21298059

IUPAC(2E,6E,10E,14E)-N-[2-(dimethylamino)ethyl]-3,7,11-trimethylheptadeca-2,6,10,14-tetraenamide
SMILESCC/C=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCN(C)C
InChIInChI=1S/C24H42N2O/c1-7-8-9-10-13-21(2)14-11-15-22(3)16-12-17-23(4)20-24(27)25-18-19-26(5)6/h8-9,14,16,20H,7,10-13,15,17-19H2,1-6H3,(H,25,27)/b9-8+,21-14+,22-16+,23-20+
InChIKeyWPGLKJJKGKYFNE-IXVCACKBSA-N
MW374.61 g/mol
LogP5.81
Rot. Bonds14

About (2E,6E,10E,14E)-N-[2-(dimethylamino)ethyl]-3,7,11-trimethylheptadeca-2,6,10,14-tetraenamide

(2E,6E,10E,14E)-N-[2-(dimethylamino)ethyl]-3,7,11-trimethylheptadeca-2,6,10,14-tetraenamide (PubChem CID 21298059) has the molecular formula C24H42N2O and a molecular weight of 374.61 g/mol. Its IUPAC name is (2E,6E,10E,14E)-N-[2-(dimethylamino)ethyl]-3,7,11-trimethylheptadeca-2,6,10,14-tetraenamide.

Molecular Properties

Compound Name(2E,6E,10E,14E)-N-[2-(dimethylamino)ethyl]-3,7,11-trimethylheptadeca-2,6,10,14-tetraenamide
PubChem CID21298059
Molecular FormulaC24H42N2O
Molecular Weight374.61 g/mol
Exact Mass374.33
IUPAC Name(2E,6E,10E,14E)-N-[2-(dimethylamino)ethyl]-3,7,11-trimethylheptadeca-2,6,10,14-tetraenamide
SMILESCC/C=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCN(C)C
InChIInChI=1S/C24H42N2O/c1-7-8-9-10-13-21(2)14-11-15-22(3)16-12-17-23(4)20-24(27)25-18-19-26(5)6/h8-9,14,16,20H,7,10-13,15,17-19H2,1-6H3,(H,25,27)/b9-8+,21-14+,22-16+,23-20+
InChIKeyWPGLKJJKGKYFNE-IXVCACKBSA-N
XLogP5.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 55.81
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'}

Analyze (2E,6E,10E,14E)-N-[2-(dimethylamino)ethyl]-3,7,11-trimethylheptadeca-2,6,10,14-tetraenamide with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-3,7,11-trimethyldodeca-2,6,10-trienamide
CID 54133454
(E)-N-[2-(dimethylamino)ethyl]oct-4-enamide
CID 102117814
(2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide
CID 59793401
(E)-N-[2-(dimethylamino)ethyl]non-4-enamide
CID 102117820
(E)-N-[2-(dimethylamino)ethyl]hept-2-enamide
CID 102117807
13-(dimethylamino)-5,9-dimethyltrideca-4,8-dienoic acid
CID 173462610
(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460
(9Z,12Z,15Z)-N-[3-(dimethylamino)propyl]octadeca-9,12,15-trienamide
CID 155472776
2-[(2E,6E)-11-(dimethylamino)-3,7-dimethylundeca-2,6-dienyl]propanedioic acid
CID 88845440
N-[2-(dimethylamino)ethyl]acetamide;ethane;molecular hydrogen
CID 156646595
(5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one
CID 91747987
(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
CID 162428625

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E,14E)-N-[2-(dimethylamino)ethyl]-3,7,11-trimethylheptadeca-2,6,10,14-tetraenamide?
The IUPAC name of (2E,6E,10E,14E)-N-[2-(dimethylamino)ethyl]-3,7,11-trimethylheptadeca-2,6,10,14-tetraenamide (CID 21298059) is (2E,6E,10E,14E)-N-[2-(dimethylamino)ethyl]-3,7,11-trimethylheptadeca-2,6,10,14-tetraenamide.
What is the SMILES notation for (2E,6E,10E,14E)-N-[2-(dimethylamino)ethyl]-3,7,11-trimethylheptadeca-2,6,10,14-tetraenamide?
The canonical SMILES for (2E,6E,10E,14E)-N-[2-(dimethylamino)ethyl]-3,7,11-trimethylheptadeca-2,6,10,14-tetraenamide is CC/C=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCN(C)C.
What is the InChIKey of (2E,6E,10E,14E)-N-[2-(dimethylamino)ethyl]-3,7,11-trimethylheptadeca-2,6,10,14-tetraenamide?
The InChIKey is WPGLKJJKGKYFNE-IXVCACKBSA-N. The full InChI is InChI=1S/C24H42N2O/c1-7-8-9-10-13-21(2)14-11-15-22(3)16-12-17-23(4)20-24(27)25-18-19-26(5)6/h8-9,14,16,20H,7,10-13,15,17-19H2,1-6H3,(H,25,27)/b9-8+,21-14+,22-16+,23-20+.
What are the key properties of (2E,6E,10E,14E)-N-[2-(dimethylamino)ethyl]-3,7,11-trimethylheptadeca-2,6,10,14-tetraenamide?
(2E,6E,10E,14E)-N-[2-(dimethylamino)ethyl]-3,7,11-trimethylheptadeca-2,6,10,14-tetraenamide has a molecular weight of 374.61 g/mol, XLogP of 5.81, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E,14E)-N-[2-(dimethylamino)ethyl]-3,7,11-trimethylheptadeca-2,6,10,14-tetraenamide is sourced from PubChem (CID 21298059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).