(2E)-14,14-dibromo-N-[2-(dimethylamino)-2-oxoethyl]tetradeca-2,13-dienamide

C18H30Br2N2O2 — CID 25242625

IUPAC(2E)-14,14-dibromo-N-[2-(dimethylamino)-2-oxoethyl]tetradeca-2,13-dienamide
SMILESCN(C)C(=O)CNC(=O)/C=C/CCCCCCCCCC=C(Br)Br
InChIInChI=1S/C18H30Br2N2O2/c1-22(2)18(24)15-21-17(23)14-12-10-8-6-4-3-5-7-9-11-13-16(19)20/h12-14H,3-11,15H2,1-2H3,(H,21,23)/b14-12+
InChIKeyHHSYNRAEKYRCPT-WYMLVPIESA-N
MW466.26 g/mol
LogP4.89
Rot. Bonds13

About (2E)-14,14-dibromo-N-[2-(dimethylamino)-2-oxoethyl]tetradeca-2,13-dienamide

(2E)-14,14-dibromo-N-[2-(dimethylamino)-2-oxoethyl]tetradeca-2,13-dienamide (PubChem CID 25242625) has the molecular formula C18H30Br2N2O2 and a molecular weight of 466.26 g/mol. Its IUPAC name is (2E)-14,14-dibromo-N-[2-(dimethylamino)-2-oxoethyl]tetradeca-2,13-dienamide.

Molecular Properties

Compound Name(2E)-14,14-dibromo-N-[2-(dimethylamino)-2-oxoethyl]tetradeca-2,13-dienamide
PubChem CID25242625
Molecular FormulaC18H30Br2N2O2
Molecular Weight466.26 g/mol
Exact Mass464.07
IUPAC Name(2E)-14,14-dibromo-N-[2-(dimethylamino)-2-oxoethyl]tetradeca-2,13-dienamide
SMILESCN(C)C(=O)CNC(=O)/C=C/CCCCCCCCCC=C(Br)Br
InChIInChI=1S/C18H30Br2N2O2/c1-22(2)18(24)15-21-17(23)14-12-10-8-6-4-3-5-7-9-11-13-16(19)20/h12-14H,3-11,15H2,1-2H3,(H,21,23)/b14-12+
InChIKeyHHSYNRAEKYRCPT-WYMLVPIESA-N
XLogP4.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.26
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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)-14,14-dibromo-N-[2-(dimethylamino)-2-oxoethyl]tetradeca-2,13-dienamide?
The IUPAC name of (2E)-14,14-dibromo-N-[2-(dimethylamino)-2-oxoethyl]tetradeca-2,13-dienamide (CID 25242625) is (2E)-14,14-dibromo-N-[2-(dimethylamino)-2-oxoethyl]tetradeca-2,13-dienamide.
What is the SMILES notation for (2E)-14,14-dibromo-N-[2-(dimethylamino)-2-oxoethyl]tetradeca-2,13-dienamide?
The canonical SMILES for (2E)-14,14-dibromo-N-[2-(dimethylamino)-2-oxoethyl]tetradeca-2,13-dienamide is CN(C)C(=O)CNC(=O)/C=C/CCCCCCCCCC=C(Br)Br.
What is the InChIKey of (2E)-14,14-dibromo-N-[2-(dimethylamino)-2-oxoethyl]tetradeca-2,13-dienamide?
The InChIKey is HHSYNRAEKYRCPT-WYMLVPIESA-N. The full InChI is InChI=1S/C18H30Br2N2O2/c1-22(2)18(24)15-21-17(23)14-12-10-8-6-4-3-5-7-9-11-13-16(19)20/h12-14H,3-11,15H2,1-2H3,(H,21,23)/b14-12+.
What are the key properties of (2E)-14,14-dibromo-N-[2-(dimethylamino)-2-oxoethyl]tetradeca-2,13-dienamide?
(2E)-14,14-dibromo-N-[2-(dimethylamino)-2-oxoethyl]tetradeca-2,13-dienamide has a molecular weight of 466.26 g/mol, XLogP of 4.89, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-14,14-dibromo-N-[2-(dimethylamino)-2-oxoethyl]tetradeca-2,13-dienamide is sourced from PubChem (CID 25242625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).