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

C14H26N2O — CID 59860468

IUPAC(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide
SMILESC=CCN(CC(C)(C)C)C(=O)/C=C/CN(C)C
InChIInChI=1S/C14H26N2O/c1-7-10-16(12-14(2,3)4)13(17)9-8-11-15(5)6/h7-9H,1,10-12H2,2-6H3/b9-8+
InChIKeyAXIYOVIOMJSGHY-CMDGGOBGSA-N
MW238.37 g/mol
LogP2.16
Rot. Bonds6

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

(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide (PubChem CID 59860468) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide
PubChem CID59860468
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide
SMILESC=CCN(CC(C)(C)C)C(=O)/C=C/CN(C)C
InChIInChI=1S/C14H26N2O/c1-7-10-16(12-14(2,3)4)13(17)9-8-11-15(5)6/h7-9H,1,10-12H2,2-6H3/b9-8+
InChIKeyAXIYOVIOMJSGHY-CMDGGOBGSA-N
XLogP2.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.16
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'}

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Related Compounds

N,N-Diallylpivalamide
CID 4418346
N,N-Diethyl-3-methyl-2-butenamide
CID 223380
(E)-N,N-diethylbut-2-enamide
CID 5354453
N,N,N',N'-tetraethyl fumaramide
CID 6151773
2-Butenamide, N,N-diisopropyl-, (E)-
CID 5366037
2,4-Hexadienamide, N,N-diethyl-
CID 5368935
But-2-enamide, N,N-dibutyl-3-methyl-
CID 234948
N-methyl-N-(2-methylpropyl)dec-2-en-4,6-diynamide
CID 85553722
N-methyl-N-(2-methylpropyl)deca-2,8-dien-4,6-diynamide
CID 129637571
2-Butenamide,n,n-diethyl-, (2e)-
CID 223376
n,n-Dipropylprop-2-enamide
CID 266287
2-Propenamide, N,N-bis(2-methylpropyl)-
CID 11960595

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide (CID 59860468) is (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide is C=CCN(CC(C)(C)C)C(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide?
The InChIKey is AXIYOVIOMJSGHY-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H26N2O/c1-7-10-16(12-14(2,3)4)13(17)9-8-11-15(5)6/h7-9H,1,10-12H2,2-6H3/b9-8+.
What are the key properties of (E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide?
(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide has a molecular weight of 238.37 g/mol, XLogP of 2.16, 6 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-dimethylpropyl)-N-prop-2-enylbut-2-enamide is sourced from PubChem (CID 59860468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).