2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide

C13H18N2O — CID 104547357

IUPAC2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1CCNC
InChIInChI=1S/C13H18N2O/c1-3-9-15-13(16)12-7-5-4-6-11(12)8-10-14-2/h3-7,14H,1,8-10H2,2H3,(H,15,16)
InChIKeyTWFHDPBKKRPYHY-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.36
Rot. Bonds6

About 2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide

2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide (PubChem CID 104547357) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide
PubChem CID104547357
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1CCNC
InChIInChI=1S/C13H18N2O/c1-3-9-15-13(16)12-7-5-4-6-11(12)8-10-14-2/h3-7,14H,1,8-10H2,2H3,(H,15,16)
InChIKeyTWFHDPBKKRPYHY-UHFFFAOYSA-N
XLogP1.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide 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-(2-phenylethyl)-N-prop-2-enylbenzamide
CID 2228922
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 71070439
N-tert-butyl-2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide
CID 104548197
2-[[2-[2-(methylamino)ethyl]benzoyl]amino]pent-4-enoic acid
CID 104548190
1-[2-[2-(methylamino)ethyl]phenyl]hex-5-en-1-one
CID 116613275
N-(2-cyanoethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425664
N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547307
N-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide
CID 114332137
N-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547460
N-methyl-N,2-bis[2-(methylamino)ethyl]benzamide
CID 104547950
N-(2-methoxy-2-methylpropyl)-2-[2-(methylamino)ethyl]benzamide
CID 104761286

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide (CID 104547357) is 2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1CCNC.
What is the InChIKey of 2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide?
The InChIKey is TWFHDPBKKRPYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-9-15-13(16)12-7-5-4-6-11(12)8-10-14-2/h3-7,14H,1,8-10H2,2H3,(H,15,16).
What are the key properties of 2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide?
2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide has a molecular weight of 218.30 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 104547357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).