2-(methylamino)-N-(3-methylbut-2-enyl)benzamide

C13H18N2O — CID 106191072

IUPAC2-(methylamino)-N-(3-methylbut-2-enyl)benzamide
SMILESCNc1ccccc1C(=O)NCC=C(C)C
InChIInChI=1S/C13H18N2O/c1-10(2)8-9-15-13(16)11-6-4-5-7-12(11)14-3/h4-8,14H,9H2,1-3H3,(H,15,16)
InChIKeyGETDWUYDPYCPBK-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.42
Rot. Bonds4

About 2-(methylamino)-N-(3-methylbut-2-enyl)benzamide

2-(methylamino)-N-(3-methylbut-2-enyl)benzamide (PubChem CID 106191072) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(methylamino)-N-(3-methylbut-2-enyl)benzamide.

Molecular Properties

Compound Name2-(methylamino)-N-(3-methylbut-2-enyl)benzamide
PubChem CID106191072
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(methylamino)-N-(3-methylbut-2-enyl)benzamide
SMILESCNc1ccccc1C(=O)NCC=C(C)C
InChIInChI=1S/C13H18N2O/c1-10(2)8-9-15-13(16)11-6-4-5-7-12(11)14-3/h4-8,14H,9H2,1-3H3,(H,15,16)
InChIKeyGETDWUYDPYCPBK-UHFFFAOYSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(methylamino)-N-(3-methylbut-2-enyl)benzamide 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

2,3-difluoro-N-(3-methylbut-2-enyl)benzamide
CID 103528227
2-(methylamino)-N-(2-methyl-2-phenylpropyl)benzamide
CID 61375924
2-(methylamino)-N-(4-methylpentyl)benzamide
CID 61377674
2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 4080899
2-[[2-(methylamino)benzoyl]amino]benzoic acid
CID 12819847
2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 114175674
1-[2-(methylamino)phenyl]butane-1,3-dione
CID 23343456
2-(methylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106430283
2-(methylamino)-N-(2-propan-2-yloxyethyl)benzamide
CID 113450456
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 62636522
N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide
CID 61378453
2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106420098

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(3-methylbut-2-enyl)benzamide?
The IUPAC name of 2-(methylamino)-N-(3-methylbut-2-enyl)benzamide (CID 106191072) is 2-(methylamino)-N-(3-methylbut-2-enyl)benzamide.
What is the SMILES notation for 2-(methylamino)-N-(3-methylbut-2-enyl)benzamide?
The canonical SMILES for 2-(methylamino)-N-(3-methylbut-2-enyl)benzamide is CNc1ccccc1C(=O)NCC=C(C)C.
What is the InChIKey of 2-(methylamino)-N-(3-methylbut-2-enyl)benzamide?
The InChIKey is GETDWUYDPYCPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(2)8-9-15-13(16)11-6-4-5-7-12(11)14-3/h4-8,14H,9H2,1-3H3,(H,15,16).
What are the key properties of 2-(methylamino)-N-(3-methylbut-2-enyl)benzamide?
2-(methylamino)-N-(3-methylbut-2-enyl)benzamide has a molecular weight of 218.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(3-methylbut-2-enyl)benzamide is sourced from PubChem (CID 106191072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).