N,3-dimethyl-N-(2-phenylethenyl)but-2-enamide

C14H17NO — CID 71349425

IUPACN,3-dimethyl-N-(2-phenylethenyl)but-2-enamide
SMILESCC(C)=CC(=O)N(C)C=Cc1ccccc1
InChIInChI=1S/C14H17NO/c1-12(2)11-14(16)15(3)10-9-13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyZXXVSLVNOUPLEH-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.08
Rot. Bonds3

About N,3-dimethyl-N-(2-phenylethenyl)but-2-enamide

N,3-dimethyl-N-(2-phenylethenyl)but-2-enamide (PubChem CID 71349425) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N,3-dimethyl-N-(2-phenylethenyl)but-2-enamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(2-phenylethenyl)but-2-enamide
PubChem CID71349425
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN,3-dimethyl-N-(2-phenylethenyl)but-2-enamide
SMILESCC(C)=CC(=O)N(C)C=Cc1ccccc1
InChIInChI=1S/C14H17NO/c1-12(2)11-14(16)15(3)10-9-13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyZXXVSLVNOUPLEH-UHFFFAOYSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,3-dimethyl-N-(2-phenylethenyl)but-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

N'-methyl-N'-phenyl-N-[(E)-2-phenylethenyl]acetohydrazide
CID 101280500
5-methyl-1-phenylhexa-1,4-dien-3-one
CID 73164511
acetic acid;stilbene
CID 172803728
N,N-dimethylmethanamine;stilbene
CID 174368184
N-(2-phenylethenyl)acetamide
CID 54032077
dimethylamino (E)-3-phenylprop-2-enoate
CID 174325231
N-methyl-N-[(2-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 102603359
3-methylbut-2-enoic acid;methyl 3-phenylprop-2-enoate
CID 70180890
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
N-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 6366857
(4E)-3-methyl-5-phenylpenta-2,4-dienoic acid
CID 774941
(E)-N-methyl-N-(4-methylpenta-2,3-dienyl)-3-phenylprop-2-enamide
CID 53248036

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2-phenylethenyl)but-2-enamide?
The IUPAC name of N,3-dimethyl-N-(2-phenylethenyl)but-2-enamide (CID 71349425) is N,3-dimethyl-N-(2-phenylethenyl)but-2-enamide.
What is the SMILES notation for N,3-dimethyl-N-(2-phenylethenyl)but-2-enamide?
The canonical SMILES for N,3-dimethyl-N-(2-phenylethenyl)but-2-enamide is CC(C)=CC(=O)N(C)C=Cc1ccccc1.
What is the InChIKey of N,3-dimethyl-N-(2-phenylethenyl)but-2-enamide?
The InChIKey is ZXXVSLVNOUPLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-12(2)11-14(16)15(3)10-9-13-7-5-4-6-8-13/h4-11H,1-3H3.
What are the key properties of N,3-dimethyl-N-(2-phenylethenyl)but-2-enamide?
N,3-dimethyl-N-(2-phenylethenyl)but-2-enamide has a molecular weight of 215.30 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2-phenylethenyl)but-2-enamide is sourced from PubChem (CID 71349425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).