(2E,6E,10E)-N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide

C24H42N2O — CID 14129826

IUPAC(2E,6E,10E)-N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCN(C)C
InChIInChI=1S/C24H42N2O/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-16-23(5)19-24(27)25-17-18-26(6)7/h11,13,15,19H,8-10,12,14,16-18H2,1-7H3,(H,25,27)/b21-13+,22-15+,23-19+
InChIKeyJHIGCWITCKAWCF-TWMIAMRASA-N
MW374.61 g/mol
LogP5.81
Rot. Bonds13

About (2E,6E,10E)-N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide

(2E,6E,10E)-N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide (PubChem CID 14129826) has the molecular formula C24H42N2O and a molecular weight of 374.61 g/mol. Its IUPAC name is (2E,6E,10E)-N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide.

Molecular Properties

Compound Name(2E,6E,10E)-N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
PubChem CID14129826
Molecular FormulaC24H42N2O
Molecular Weight374.61 g/mol
Exact Mass374.33
IUPAC Name(2E,6E,10E)-N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCN(C)C
InChIInChI=1S/C24H42N2O/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-16-23(5)19-24(27)25-17-18-26(6)7/h11,13,15,19H,8-10,12,14,16-18H2,1-7H3,(H,25,27)/b21-13+,22-15+,23-19+
InChIKeyJHIGCWITCKAWCF-TWMIAMRASA-N
XLogP5.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E)-N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
The IUPAC name of (2E,6E,10E)-N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide (CID 14129826) is (2E,6E,10E)-N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide.
What is the SMILES notation for (2E,6E,10E)-N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
The canonical SMILES for (2E,6E,10E)-N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCN(C)C.
What is the InChIKey of (2E,6E,10E)-N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
The InChIKey is JHIGCWITCKAWCF-TWMIAMRASA-N. The full InChI is InChI=1S/C24H42N2O/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-16-23(5)19-24(27)25-17-18-26(6)7/h11,13,15,19H,8-10,12,14,16-18H2,1-7H3,(H,25,27)/b21-13+,22-15+,23-19+.
What are the key properties of (2E,6E,10E)-N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide?
(2E,6E,10E)-N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide has a molecular weight of 374.61 g/mol, XLogP of 5.81, 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-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide is sourced from PubChem (CID 14129826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).