(E)-4-(dimethylamino)-N-(2,2-dimethyloctyl)-N-prop-2-enylbut-2-enamide

C19H36N2O — CID 129028370

IUPAC(E)-4-(dimethylamino)-N-(2,2-dimethyloctyl)-N-prop-2-enylbut-2-enamide
SMILESC=CCN(CC(C)(C)CCCCCC)C(=O)/C=C/CN(C)C
InChIInChI=1S/C19H36N2O/c1-7-9-10-11-14-19(3,4)17-21(15-8-2)18(22)13-12-16-20(5)6/h8,12-13H,2,7,9-11,14-17H2,1,3-6H3/b13-12+
InChIKeyIATAXSDJIZQBJL-OUKQBFOZSA-N
MW308.51 g/mol
LogP4.12
Rot. Bonds12

About (E)-4-(dimethylamino)-N-(2,2-dimethyloctyl)-N-prop-2-enylbut-2-enamide

(E)-4-(dimethylamino)-N-(2,2-dimethyloctyl)-N-prop-2-enylbut-2-enamide (PubChem CID 129028370) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-(2,2-dimethyloctyl)-N-prop-2-enylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-(2,2-dimethyloctyl)-N-prop-2-enylbut-2-enamide
PubChem CID129028370
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Name(E)-4-(dimethylamino)-N-(2,2-dimethyloctyl)-N-prop-2-enylbut-2-enamide
SMILESC=CCN(CC(C)(C)CCCCCC)C(=O)/C=C/CN(C)C
InChIInChI=1S/C19H36N2O/c1-7-9-10-11-14-19(3,4)17-21(15-8-2)18(22)13-12-16-20(5)6/h8,12-13H,2,7,9-11,14-17H2,1,3-6H3/b13-12+
InChIKeyIATAXSDJIZQBJL-OUKQBFOZSA-N
XLogP4.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-(dimethylamino)-N-(2,2-dimethyloctyl)-N-prop-2-enylbut-2-enamide with MolForge

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Related Compounds

N-(2-decyltetradecyl)-maleimide
CID 129839852
N,N-bis(11-methyldodecyl)prop-2-enamide
CID 14475775
(E)-N,N,N',N'-tetrakis(2-ethylhexyl)but-2-enediamide
CID 20752274
N,N,N',N'-tetrakis(11-methyldodecyl)but-2-enediamide
CID 53714259
N,N-dioctylbut-2-enamide
CID 54431565
N-(6-methylheptyl)-N-octylprop-2-enamide
CID 57264060
1-(2-Methylpentadecyl)pyrrole-2,5-dione
CID 68027255
N,N,N',N'-tetrakis(2-ethylhexyl)but-2-enediamide
CID 73704327
(Z)-N,N,N',N'-tetrakis(11-methyldodecyl)but-2-enediamide
CID 87787936
(E)-N-(3-ethyl-6-iodo-3-methyloctyl)-N-methylbut-2-enamide
CID 88928239
1-(11-Methyldodecyl)pyrrole-2,5-dione
CID 89505394
1-(2-Octyldodecyl)pyrrole-2,5-dione
CID 101895987

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-(2,2-dimethyloctyl)-N-prop-2-enylbut-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-(2,2-dimethyloctyl)-N-prop-2-enylbut-2-enamide (CID 129028370) is (E)-4-(dimethylamino)-N-(2,2-dimethyloctyl)-N-prop-2-enylbut-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-(2,2-dimethyloctyl)-N-prop-2-enylbut-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-(2,2-dimethyloctyl)-N-prop-2-enylbut-2-enamide is C=CCN(CC(C)(C)CCCCCC)C(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-4-(dimethylamino)-N-(2,2-dimethyloctyl)-N-prop-2-enylbut-2-enamide?
The InChIKey is IATAXSDJIZQBJL-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H36N2O/c1-7-9-10-11-14-19(3,4)17-21(15-8-2)18(22)13-12-16-20(5)6/h8,12-13H,2,7,9-11,14-17H2,1,3-6H3/b13-12+.
What are the key properties of (E)-4-(dimethylamino)-N-(2,2-dimethyloctyl)-N-prop-2-enylbut-2-enamide?
(E)-4-(dimethylamino)-N-(2,2-dimethyloctyl)-N-prop-2-enylbut-2-enamide has a molecular weight of 308.51 g/mol, XLogP of 4.12, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-(2,2-dimethyloctyl)-N-prop-2-enylbut-2-enamide is sourced from PubChem (CID 129028370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).