methyl (E)-3-(dibenzylamino)prop-2-enoate

C18H19NO2 — CID 5382919

IUPACmethyl (E)-3-(dibenzylamino)prop-2-enoate
SMILESCOC(=O)/C=C/N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H19NO2/c1-21-18(20)12-13-19(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-13H,14-15H2,1H3/b13-12+
InChIKeyTZVOEELFYRYTJB-OUKQBFOZSA-N
MW281.36 g/mol
LogP3.38
Rot. Bonds6

About methyl (E)-3-(dibenzylamino)prop-2-enoate

methyl (E)-3-(dibenzylamino)prop-2-enoate (PubChem CID 5382919) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl (E)-3-(dibenzylamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(dibenzylamino)prop-2-enoate
PubChem CID5382919
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Namemethyl (E)-3-(dibenzylamino)prop-2-enoate
SMILESCOC(=O)/C=C/N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H19NO2/c1-21-18(20)12-13-19(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-13H,14-15H2,1H3/b13-12+
InChIKeyTZVOEELFYRYTJB-OUKQBFOZSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
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 methyl (E)-3-(dibenzylamino)prop-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

methyl (Z)-3-[benzyl-[[(1S)-cyclohexa-2,4-dien-1-yl]methyl]amino]prop-2-enoate
CID 177453216
methyl 2-[benzyl(prop-1-enyl)amino]acetate
CID 141322891
methyl 5-[benzyl(methyl)amino]pent-2-enoate
CID 59035143
ethyl (E)-3-[benzyl(prop-2-ynyl)amino]prop-2-enoate
CID 102186725
(E)-4-[benzyl(prop-2-enyl)amino]but-3-en-2-one
CID 135043163
methyl N-benzyl-N-methoxycarbonylcarbamate
CID 23462472
(111C)methyl N,N-dibenzylcarbamate
CID 10106358
methyl 2-[benzyl(but-2-enoyl)amino]acetate
CID 78919796
methyl (Z,4R)-4-phenylmethoxypent-2-enoate
CID 10082195
4-O-[1-[benzyl-(2-ethoxy-2-oxoethyl)amino]-1-oxopropan-2-yl] 1-O-methyl (E)-but-2-enedioate
CID 59202058
methyl (E)-5-(benzylamino)pent-2-enoate
CID 11085308
methyl (E)-2-[[benzyl(methyl)amino]methyl]but-2-enoate
CID 10799648

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(dibenzylamino)prop-2-enoate?
The IUPAC name of methyl (E)-3-(dibenzylamino)prop-2-enoate (CID 5382919) is methyl (E)-3-(dibenzylamino)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(dibenzylamino)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(dibenzylamino)prop-2-enoate is COC(=O)/C=C/N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of methyl (E)-3-(dibenzylamino)prop-2-enoate?
The InChIKey is TZVOEELFYRYTJB-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-18(20)12-13-19(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-13H,14-15H2,1H3/b13-12+.
What are the key properties of methyl (E)-3-(dibenzylamino)prop-2-enoate?
methyl (E)-3-(dibenzylamino)prop-2-enoate has a molecular weight of 281.36 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(dibenzylamino)prop-2-enoate is sourced from PubChem (CID 5382919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).