(E)-4-(dimethylamino)-N-(4-ethenylphenyl)but-2-enamide

C14H18N2O — CID 144832726

IUPAC(E)-4-(dimethylamino)-N-(4-ethenylphenyl)but-2-enamide
SMILESC=Cc1ccc(NC(=O)/C=C/CN(C)C)cc1
InChIInChI=1S/C14H18N2O/c1-4-12-7-9-13(10-8-12)15-14(17)6-5-11-16(2)3/h4-10H,1,11H2,2-3H3,(H,15,17)/b6-5+
InChIKeyHEHHIOWVKHHXCF-AATRIKPKSA-N
MW230.31 g/mol
LogP2.39
Rot. Bonds5

About (E)-4-(dimethylamino)-N-(4-ethenylphenyl)but-2-enamide

(E)-4-(dimethylamino)-N-(4-ethenylphenyl)but-2-enamide (PubChem CID 144832726) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-(4-ethenylphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-(4-ethenylphenyl)but-2-enamide
PubChem CID144832726
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(E)-4-(dimethylamino)-N-(4-ethenylphenyl)but-2-enamide
SMILESC=Cc1ccc(NC(=O)/C=C/CN(C)C)cc1
InChIInChI=1S/C14H18N2O/c1-4-12-7-9-13(10-8-12)15-14(17)6-5-11-16(2)3/h4-10H,1,11H2,2-3H3,(H,15,17)/b6-5+
InChIKeyHEHHIOWVKHHXCF-AATRIKPKSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[(E)-4-(4-ethenylanilino)-4-oxobut-2-enyl]-methylamino]acetate
CID 144832754
4-(dimethylamino)-N-phenylbut-2-enamide
CID 72514761
4-[4-(dimethylamino)but-2-enoylamino]benzoyl chloride
CID 123561810
(E)-4-(dimethylamino)-N-(6-methyl-3-pyridinyl)but-2-enamide
CID 153303846
(E)-4-(dimethylamino)-N-(3-methylphenyl)but-2-enamide
CID 118034064
N-[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]-5-methylthiophene-2-carboxamide
CID 176557413
(E)-4-(dimethylamino)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)but-2-enamide
CID 172614120
N,N'-bis(4-ethenylphenyl)butanediamide
CID 12519604
5-[4-(dimethylamino)but-2-enoylamino]pyridin-1-ium-2-carboxamide
CID 163886350
N-cyclohexyl-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
CID 135141538
(4-ethenylphenyl)carbamic acid
CID 22352089
(E)-N-[(2S)-1-anilino-1-oxopropan-2-yl]-4-(dimethylamino)but-2-enamide
CID 134827866

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-(4-ethenylphenyl)but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-(4-ethenylphenyl)but-2-enamide (CID 144832726) is (E)-4-(dimethylamino)-N-(4-ethenylphenyl)but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-(4-ethenylphenyl)but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-(4-ethenylphenyl)but-2-enamide is C=Cc1ccc(NC(=O)/C=C/CN(C)C)cc1.
What is the InChIKey of (E)-4-(dimethylamino)-N-(4-ethenylphenyl)but-2-enamide?
The InChIKey is HEHHIOWVKHHXCF-AATRIKPKSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-12-7-9-13(10-8-12)15-14(17)6-5-11-16(2)3/h4-10H,1,11H2,2-3H3,(H,15,17)/b6-5+.
What are the key properties of (E)-4-(dimethylamino)-N-(4-ethenylphenyl)but-2-enamide?
(E)-4-(dimethylamino)-N-(4-ethenylphenyl)but-2-enamide has a molecular weight of 230.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-(4-ethenylphenyl)but-2-enamide is sourced from PubChem (CID 144832726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).