2-anilino-N-(3-methylbut-2-enyl)acetamide

C13H18N2O — CID 106186880

IUPAC2-anilino-N-(3-methylbut-2-enyl)acetamide
SMILESCC(C)=CCNC(=O)CNc1ccccc1
InChIInChI=1S/C13H18N2O/c1-11(2)8-9-14-13(16)10-15-12-6-4-3-5-7-12/h3-8,15H,9-10H2,1-2H3,(H,14,16)
InChIKeyWAHLIXJLIRPBIQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.18
Rot. Bonds5

About 2-anilino-N-(3-methylbut-2-enyl)acetamide

2-anilino-N-(3-methylbut-2-enyl)acetamide (PubChem CID 106186880) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-anilino-N-(3-methylbut-2-enyl)acetamide.

Molecular Properties

Compound Name2-anilino-N-(3-methylbut-2-enyl)acetamide
PubChem CID106186880
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-anilino-N-(3-methylbut-2-enyl)acetamide
SMILESCC(C)=CCNC(=O)CNc1ccccc1
InChIInChI=1S/C13H18N2O/c1-11(2)8-9-14-13(16)10-15-12-6-4-3-5-7-12/h3-8,15H,9-10H2,1-2H3,(H,14,16)
InChIKeyWAHLIXJLIRPBIQ-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-anilino-N-(3-methylbut-2-enyl)acetamide 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

2-anilino-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 60671281
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
2-anilino-N-(3-hydroxypropyl)acetamide
CID 60861419
2-anilino-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
CID 119689818
2-anilino-N-[(2-hydroxyphenyl)methyl]acetamide
CID 114332305
methyl 3-[(2-anilinoacetyl)amino]propanoate
CID 60671204
2-[2-(aminomethyl)phenyl]-N-(3-methylbut-2-enyl)acetamide
CID 106186730
(E)-5-anilino-4-methylpent-3-en-2-one
CID 143995368
2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119726408
2-anilino-N-(2,2-difluoroethyl)acetamide;hydrochloride
CID 119781479
2-(3-acetamidoanilino)-N-prop-2-enylacetamide
CID 54831608
3-amino-N-(3-methylbut-2-enyl)-3-phenylpropanamide
CID 114155639

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(3-methylbut-2-enyl)acetamide?
The IUPAC name of 2-anilino-N-(3-methylbut-2-enyl)acetamide (CID 106186880) is 2-anilino-N-(3-methylbut-2-enyl)acetamide.
What is the SMILES notation for 2-anilino-N-(3-methylbut-2-enyl)acetamide?
The canonical SMILES for 2-anilino-N-(3-methylbut-2-enyl)acetamide is CC(C)=CCNC(=O)CNc1ccccc1.
What is the InChIKey of 2-anilino-N-(3-methylbut-2-enyl)acetamide?
The InChIKey is WAHLIXJLIRPBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11(2)8-9-14-13(16)10-15-12-6-4-3-5-7-12/h3-8,15H,9-10H2,1-2H3,(H,14,16).
What are the key properties of 2-anilino-N-(3-methylbut-2-enyl)acetamide?
2-anilino-N-(3-methylbut-2-enyl)acetamide has a molecular weight of 218.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(3-methylbut-2-enyl)acetamide is sourced from PubChem (CID 106186880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).