2-[benzyl(methyl)amino]ethyl 3-phenylprop-2-enoate

C19H21NO2 — CID 2908391

IUPAC2-[benzyl(methyl)amino]ethyl 3-phenylprop-2-enoate
SMILESCN(CCOC(=O)C=Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H21NO2/c1-20(16-18-10-6-3-7-11-18)14-15-22-19(21)13-12-17-8-4-2-5-9-17/h2-13H,14-16H2,1H3
InChIKeyWGJZHHKNRDENEN-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.38
Rot. Bonds7

About 2-[benzyl(methyl)amino]ethyl 3-phenylprop-2-enoate

2-[benzyl(methyl)amino]ethyl 3-phenylprop-2-enoate (PubChem CID 2908391) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]ethyl 3-phenylprop-2-enoate.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]ethyl 3-phenylprop-2-enoate
PubChem CID2908391
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-[benzyl(methyl)amino]ethyl 3-phenylprop-2-enoate
SMILESCN(CCOC(=O)C=Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H21NO2/c1-20(16-18-10-6-3-7-11-18)14-15-22-19(21)13-12-17-8-4-2-5-9-17/h2-13H,14-16H2,1H3
InChIKeyWGJZHHKNRDENEN-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[benzyl(methyl)amino]ethyl 3-phenylprop-2-enoate 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

4-(dimethylamino)butyl (E)-3-phenylprop-2-enoate
CID 21249779
4-(dimethylamino)butyl 3-phenylprop-2-enoate
CID 70229404
2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335
[2-(dibenzylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 7860757
(E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide
CID 60569011
2-[3H-isoindol-1-yl(methyl)amino]ethyl (E)-3-phenylprop-2-enoate
CID 58727055
(E)-3-[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]prop-2-enoic acid
CID 81061711
propyl (E)-3-(4-benzylphenyl)prop-2-enoate
CID 158296858
2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506
(E)-3-[3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]prop-2-enoic acid
CID 81061618
3-[(E)-3-phenylprop-2-enoyl]oxypropylazanium
CID 58816851
acetonitrile;benzyl 3-phenylprop-2-enoate
CID 174428779

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]ethyl 3-phenylprop-2-enoate?
The IUPAC name of 2-[benzyl(methyl)amino]ethyl 3-phenylprop-2-enoate (CID 2908391) is 2-[benzyl(methyl)amino]ethyl 3-phenylprop-2-enoate.
What is the SMILES notation for 2-[benzyl(methyl)amino]ethyl 3-phenylprop-2-enoate?
The canonical SMILES for 2-[benzyl(methyl)amino]ethyl 3-phenylprop-2-enoate is CN(CCOC(=O)C=Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]ethyl 3-phenylprop-2-enoate?
The InChIKey is WGJZHHKNRDENEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-20(16-18-10-6-3-7-11-18)14-15-22-19(21)13-12-17-8-4-2-5-9-17/h2-13H,14-16H2,1H3.
What are the key properties of 2-[benzyl(methyl)amino]ethyl 3-phenylprop-2-enoate?
2-[benzyl(methyl)amino]ethyl 3-phenylprop-2-enoate has a molecular weight of 295.38 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]ethyl 3-phenylprop-2-enoate is sourced from PubChem (CID 2908391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).