(E)-4-(dimethylamino)-N-(2-methyl-2-propylhexyl)-N-prop-2-enylbut-2-enamide

C19H36N2O — CID 126513995

IUPAC(E)-4-(dimethylamino)-N-(2-methyl-2-propylhexyl)-N-prop-2-enylbut-2-enamide
SMILESC=CCN(CC(C)(CCC)CCCC)C(=O)/C=C/CN(C)C
InChIInChI=1S/C19H36N2O/c1-7-10-14-19(4,13-8-2)17-21(15-9-3)18(22)12-11-16-20(5)6/h9,11-12H,3,7-8,10,13-17H2,1-2,4-6H3/b12-11+
InChIKeyQIDYXKNQGWHZBJ-VAWYXSNFSA-N
MW308.51 g/mol
LogP4.12
Rot. Bonds12

About (E)-4-(dimethylamino)-N-(2-methyl-2-propylhexyl)-N-prop-2-enylbut-2-enamide

(E)-4-(dimethylamino)-N-(2-methyl-2-propylhexyl)-N-prop-2-enylbut-2-enamide (PubChem CID 126513995) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-(2-methyl-2-propylhexyl)-N-prop-2-enylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-(2-methyl-2-propylhexyl)-N-prop-2-enylbut-2-enamide
PubChem CID126513995
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Name(E)-4-(dimethylamino)-N-(2-methyl-2-propylhexyl)-N-prop-2-enylbut-2-enamide
SMILESC=CCN(CC(C)(CCC)CCCC)C(=O)/C=C/CN(C)C
InChIInChI=1S/C19H36N2O/c1-7-10-14-19(4,13-8-2)17-21(15-9-3)18(22)12-11-16-20(5)6/h9,11-12H,3,7-8,10,13-17H2,1-2,4-6H3/b12-11+
InChIKeyQIDYXKNQGWHZBJ-VAWYXSNFSA-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-(dimethylamino)-N-(2-methyl-2-propylhexyl)-N-prop-2-enylbut-2-enamide with MolForge

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Related Compounds

N-(2-decyltetradecyl)-maleimide
CID 129839852
But-2-enamide, N,N-bis(2-ethylhexyl)-3-methyl-
CID 532945
1-[4-Ethyl-4-[(3-methyl-2,5-dioxopyrrol-1-yl)methyl]octyl]-3-methylpyrrole-2,5-dione
CID 19968755
(E)-N,N,N',N'-tetrakis(2-ethylhexyl)but-2-enediamide
CID 20752274
(E)-N,N,N'-tris(2-ethylhexyl)-N'-(2-ethyl-3-methylbutyl)but-2-enediamide
CID 21053692
N,N-bis(2-ethylhexyl)prop-2-enamide
CID 22501034
N,N,N',N'-tetrakis(11-methyldodecyl)but-2-enediamide
CID 53714259
N,N-dioctylbut-2-enamide
CID 54431565
N',N'-bis(2-ethylhexyl)but-2-enediamide
CID 54455837
N,N,N',N'-tetrakis(2-ethylhexyl)but-2-enediamide
CID 73704327
N,N,N'-tris(2-ethylhexyl)-N'-(2-ethyl-3-methylbutyl)but-2-enediamide
CID 73738556
1-(4,4-Dimethylazepan-1-yl)but-2-en-1-one
CID 79005832

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-(2-methyl-2-propylhexyl)-N-prop-2-enylbut-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-(2-methyl-2-propylhexyl)-N-prop-2-enylbut-2-enamide (CID 126513995) is (E)-4-(dimethylamino)-N-(2-methyl-2-propylhexyl)-N-prop-2-enylbut-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-(2-methyl-2-propylhexyl)-N-prop-2-enylbut-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-(2-methyl-2-propylhexyl)-N-prop-2-enylbut-2-enamide is C=CCN(CC(C)(CCC)CCCC)C(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-4-(dimethylamino)-N-(2-methyl-2-propylhexyl)-N-prop-2-enylbut-2-enamide?
The InChIKey is QIDYXKNQGWHZBJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H36N2O/c1-7-10-14-19(4,13-8-2)17-21(15-9-3)18(22)12-11-16-20(5)6/h9,11-12H,3,7-8,10,13-17H2,1-2,4-6H3/b12-11+.
What are the key properties of (E)-4-(dimethylamino)-N-(2-methyl-2-propylhexyl)-N-prop-2-enylbut-2-enamide?
(E)-4-(dimethylamino)-N-(2-methyl-2-propylhexyl)-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-methyl-2-propylhexyl)-N-prop-2-enylbut-2-enamide is sourced from PubChem (CID 126513995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).