(E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide

C13H18N2O — CID 134939833

IUPAC(E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C13H18N2O/c1-5-10(2)13(16)14-11-6-8-12(9-7-11)15(3)4/h5-9H,1-4H3,(H,14,16)/b10-5+
InChIKeyMLQOFGZDZXWZTK-BJMVGYQFSA-N
MW218.30 g/mol
LogP2.66
Rot. Bonds3

About (E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide

(E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide (PubChem CID 134939833) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide
PubChem CID134939833
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C13H18N2O/c1-5-10(2)13(16)14-11-6-8-12(9-7-11)15(3)4/h5-9H,1-4H3,(H,14,16)/b10-5+
InChIKeyMLQOFGZDZXWZTK-BJMVGYQFSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-4-[4-(dimethylamino)anilino]-2-methyl-4-oxobut-2-enoic acid
CID 82335606
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
N,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide
CID 4195596
N'-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]oxamide
CID 108527910
2-(azetidin-3-ylidene)-N-[4-(dimethylamino)phenyl]propanamide
CID 116675007
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
1-[4-(dimethylamino)phenyl]-3-ethenylurea
CID 108909228
2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide
CID 175260592
N'-(2,6-diethylphenyl)-N-[4-(dimethylamino)phenyl]oxamide
CID 108511474
N-cyclohexyl-N'-[4-(dimethylamino)phenyl]oxamide
CID 7585513
N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide
CID 47192652

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide?
The IUPAC name of (E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide (CID 134939833) is (E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide.
What is the SMILES notation for (E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide?
The canonical SMILES for (E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide is C/C=C(\C)C(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of (E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide?
The InChIKey is MLQOFGZDZXWZTK-BJMVGYQFSA-N. The full InChI is InChI=1S/C13H18N2O/c1-5-10(2)13(16)14-11-6-8-12(9-7-11)15(3)4/h5-9H,1-4H3,(H,14,16)/b10-5+.
What are the key properties of (E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide?
(E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide has a molecular weight of 218.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide is sourced from PubChem (CID 134939833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).