(Z)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-1-en-2-ylbut-2-enamide

C14H26N2O — CID 126549464

IUPAC(Z)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-1-en-2-ylbut-2-enamide
SMILESC=C(C)N(CC(C)(C)C)C(=O)/C=C\CN(C)C
InChIInChI=1S/C14H26N2O/c1-12(2)16(11-14(3,4)5)13(17)9-8-10-15(6)7/h8-9H,1,10-11H2,2-7H3/b9-8-
InChIKeyZTRQZYMJFREKAT-HJWRWDBZSA-N
MW238.37 g/mol
LogP2.51
Rot. Bonds5

About (Z)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-1-en-2-ylbut-2-enamide

(Z)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-1-en-2-ylbut-2-enamide (PubChem CID 126549464) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (Z)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-1-en-2-ylbut-2-enamide.

Molecular Properties

Compound Name(Z)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-1-en-2-ylbut-2-enamide
PubChem CID126549464
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(Z)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-1-en-2-ylbut-2-enamide
SMILESC=C(C)N(CC(C)(C)C)C(=O)/C=C\CN(C)C
InChIInChI=1S/C14H26N2O/c1-12(2)16(11-14(3,4)5)13(17)9-8-10-15(6)7/h8-9H,1,10-11H2,2-7H3/b9-8-
InChIKeyZTRQZYMJFREKAT-HJWRWDBZSA-N
XLogP2.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-1-en-2-ylbut-2-enamide with MolForge

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Related Compounds

(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-(iodomethyl)but-2-enamide
CID 129132435
4-(dimethylamino)-N-ethyl-N-methylbut-2-enamide
CID 123403461
(E)-4-(dimethylamino)-N-ethyl-N-(2-methyl-2-propylpentyl)but-2-enamide
CID 126513992
(E)-4-(dimethylamino)-N-(2,2-dimethylheptyl)-N-prop-2-enylbut-2-enamide
CID 146611805
tert-butyl (2S)-2-[4-(dimethylamino)but-2-enoyl-methylamino]propanoate
CID 172553702
(E)-4-(dimethylamino)but-2-enamide;methane
CID 155781638
4-(dimethylamino)but-2-enamide;hydrochloride
CID 175776064
2,3-dimethylbutan-2-yl (E)-4-(dimethylamino)but-2-enoate
CID 126513951
(E)-5-(dimethylamino)pent-3-en-2-one;2,2-dimethylpentan-3-one;4,4-dimethylpent-1-en-3-one
CID 157357622
(E)-4-(dimethylamino)-N-(2,2-dimethylpentyl)but-2-enamide
CID 129167692
(E)-N-(4-acetamidobutyl)-4-(dimethylamino)but-2-enamide
CID 142551928
sodium;ethyl (E)-4-(dimethylamino)but-2-enoate;hydroxide
CID 174912002

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-1-en-2-ylbut-2-enamide?
The IUPAC name of (Z)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-1-en-2-ylbut-2-enamide (CID 126549464) is (Z)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-1-en-2-ylbut-2-enamide.
What is the SMILES notation for (Z)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-1-en-2-ylbut-2-enamide?
The canonical SMILES for (Z)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-1-en-2-ylbut-2-enamide is C=C(C)N(CC(C)(C)C)C(=O)/C=C\CN(C)C.
What is the InChIKey of (Z)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-1-en-2-ylbut-2-enamide?
The InChIKey is ZTRQZYMJFREKAT-HJWRWDBZSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12(2)16(11-14(3,4)5)13(17)9-8-10-15(6)7/h8-9H,1,10-11H2,2-7H3/b9-8-.
What are the key properties of (Z)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-1-en-2-ylbut-2-enamide?
(Z)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-1-en-2-ylbut-2-enamide has a molecular weight of 238.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-1-en-2-ylbut-2-enamide is sourced from PubChem (CID 126549464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).