(2E)-N-(2-amino-2-oxoethyl)-14,14-dibromotetradeca-2,13-dienamide

C16H26Br2N2O2 — CID 25242624

IUPAC(2E)-N-(2-amino-2-oxoethyl)-14,14-dibromotetradeca-2,13-dienamide
SMILESNC(=O)CNC(=O)/C=C/CCCCCCCCCC=C(Br)Br
InChIInChI=1S/C16H26Br2N2O2/c17-14(18)11-9-7-5-3-1-2-4-6-8-10-12-16(22)20-13-15(19)21/h10-12H,1-9,13H2,(H2,19,21)(H,20,22)/b12-10+
InChIKeyJULLRHBAOCDALT-ZRDIBKRKSA-N
MW438.20 g/mol
LogP4.29
Rot. Bonds13

About (2E)-N-(2-amino-2-oxoethyl)-14,14-dibromotetradeca-2,13-dienamide

(2E)-N-(2-amino-2-oxoethyl)-14,14-dibromotetradeca-2,13-dienamide (PubChem CID 25242624) has the molecular formula C16H26Br2N2O2 and a molecular weight of 438.20 g/mol. Its IUPAC name is (2E)-N-(2-amino-2-oxoethyl)-14,14-dibromotetradeca-2,13-dienamide.

Molecular Properties

Compound Name(2E)-N-(2-amino-2-oxoethyl)-14,14-dibromotetradeca-2,13-dienamide
PubChem CID25242624
Molecular FormulaC16H26Br2N2O2
Molecular Weight438.20 g/mol
Exact Mass436.04
IUPAC Name(2E)-N-(2-amino-2-oxoethyl)-14,14-dibromotetradeca-2,13-dienamide
SMILESNC(=O)CNC(=O)/C=C/CCCCCCCCCC=C(Br)Br
InChIInChI=1S/C16H26Br2N2O2/c17-14(18)11-9-7-5-3-1-2-4-6-8-10-12-16(22)20-13-15(19)21/h10-12H,1-9,13H2,(H2,19,21)(H,20,22)/b12-10+
InChIKeyJULLRHBAOCDALT-ZRDIBKRKSA-N
XLogP4.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.20
LogP ≤ 54.29
H-Bond Donors ≤ 52
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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Related Compounds

Motualevic Acid A
CID 25242622
Motualevic Acid D
CID 25242625
2-[[(2E)-14,14-dibromotetradeca-2,13-dienoyl]amino]ethyl-trimethylazanium chloride
CID 46911005
2-[[(2E)-14,14-dibromotetradeca-2,13-dienoyl]amino]ethyl-trimethylazanium
CID 46911006
2-[[(2Z)-14,14-dibromotetradeca-2,13-dienoyl]amino]acetic acid
CID 25242623
N-[2-(octadec-2-enoylamino)ethyl]octadec-2-enamide
CID 54074878
2-(14,14-Dibromotetradeca-2,13-dienoylamino)acetic acid
CID 74412683
N-[2-(icos-2-enoylamino)ethyl]icos-2-enamide
CID 87333364
N-[2-(tetracos-2-enoylamino)ethyl]tetracos-2-enamide
CID 91583847
N-(2-aminoethyl)dodec-2-enamide
CID 142766946
(E)-N-[2-(methylamino)ethyl]dec-2-enamide
CID 144375765
ethane;[2-oxo-2-[[(3E,12Z)-2-oxononadeca-3,12-dienyl]amino]ethyl]azanium
CID 144912618

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2-amino-2-oxoethyl)-14,14-dibromotetradeca-2,13-dienamide?
The IUPAC name of (2E)-N-(2-amino-2-oxoethyl)-14,14-dibromotetradeca-2,13-dienamide (CID 25242624) is (2E)-N-(2-amino-2-oxoethyl)-14,14-dibromotetradeca-2,13-dienamide.
What is the SMILES notation for (2E)-N-(2-amino-2-oxoethyl)-14,14-dibromotetradeca-2,13-dienamide?
The canonical SMILES for (2E)-N-(2-amino-2-oxoethyl)-14,14-dibromotetradeca-2,13-dienamide is NC(=O)CNC(=O)/C=C/CCCCCCCCCC=C(Br)Br.
What is the InChIKey of (2E)-N-(2-amino-2-oxoethyl)-14,14-dibromotetradeca-2,13-dienamide?
The InChIKey is JULLRHBAOCDALT-ZRDIBKRKSA-N. The full InChI is InChI=1S/C16H26Br2N2O2/c17-14(18)11-9-7-5-3-1-2-4-6-8-10-12-16(22)20-13-15(19)21/h10-12H,1-9,13H2,(H2,19,21)(H,20,22)/b12-10+.
What are the key properties of (2E)-N-(2-amino-2-oxoethyl)-14,14-dibromotetradeca-2,13-dienamide?
(2E)-N-(2-amino-2-oxoethyl)-14,14-dibromotetradeca-2,13-dienamide has a molecular weight of 438.20 g/mol, XLogP of 4.29, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2-amino-2-oxoethyl)-14,14-dibromotetradeca-2,13-dienamide is sourced from PubChem (CID 25242624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).