N,N-dimethyl-3-[3-(methylamino)prop-1-enyl]benzamide

C13H18N2O — CID 169474233

IUPACN,N-dimethyl-3-[3-(methylamino)prop-1-enyl]benzamide
SMILESCNCC=Cc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C13H18N2O/c1-14-9-5-7-11-6-4-8-12(10-11)13(16)15(2)3/h4-8,10,14H,9H2,1-3H3
InChIKeyMIYUPMRJVUNJJX-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.62
Rot. Bonds4

About N,N-dimethyl-3-[3-(methylamino)prop-1-enyl]benzamide

N,N-dimethyl-3-[3-(methylamino)prop-1-enyl]benzamide (PubChem CID 169474233) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(methylamino)prop-1-enyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(methylamino)prop-1-enyl]benzamide
PubChem CID169474233
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN,N-dimethyl-3-[3-(methylamino)prop-1-enyl]benzamide
SMILESCNCC=Cc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C13H18N2O/c1-14-9-5-7-11-6-4-8-12(10-11)13(16)15(2)3/h4-8,10,14H,9H2,1-3H3
InChIKeyMIYUPMRJVUNJJX-UHFFFAOYSA-N
XLogP1.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-3-[3-(methylamino)prop-1-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

S-[3-[3-(dimethylcarbamoyl)phenyl]prop-2-enyl] ethanethioate
CID 169457880
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
N-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide
CID 169465474
3-N,3-N-dimethyl-1-N-[2-(methylamino)ethyl]benzene-1,3-dicarboxamide
CID 119504359
9H-fluoren-9-ylmethyl N-[4-[3-(dimethylcarbamoyl)phenyl]but-3-enyl]carbamate
CID 170492924
3-(3-ethenylphenyl)-N-methylprop-2-en-1-amine
CID 169473165
methyl 6-[3-[2-hydroxyethyl(methyl)carbamoyl]phenyl]hex-5-enoate
CID 69335080
3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(2-oxoethyl)benzamide
CID 145136932
3-[(carbamoylhydrazinylidene)methyl]-N,N-dimethylbenzamide
CID 168533468
N,N-dimethyl-3-(methylamino)benzamide;ethane
CID 91408702
N,N-dimethyl-3-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]benzamide
CID 33159074
methyl 3-[(E)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoate
CID 171809039

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(methylamino)prop-1-enyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[3-(methylamino)prop-1-enyl]benzamide (CID 169474233) is N,N-dimethyl-3-[3-(methylamino)prop-1-enyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[3-(methylamino)prop-1-enyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[3-(methylamino)prop-1-enyl]benzamide is CNCC=Cc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[3-(methylamino)prop-1-enyl]benzamide?
The InChIKey is MIYUPMRJVUNJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-14-9-5-7-11-6-4-8-12(10-11)13(16)15(2)3/h4-8,10,14H,9H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[3-(methylamino)prop-1-enyl]benzamide?
N,N-dimethyl-3-[3-(methylamino)prop-1-enyl]benzamide has a molecular weight of 218.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(methylamino)prop-1-enyl]benzamide is sourced from PubChem (CID 169474233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).