[3-(dibenzylamino)-5-methylphenyl] prop-2-enoate

C24H23NO2 — CID 58984002

IUPAC[3-(dibenzylamino)-5-methylphenyl] prop-2-enoate
SMILESC=CC(=O)Oc1cc(C)cc(N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C24H23NO2/c1-3-24(26)27-23-15-19(2)14-22(16-23)25(17-20-10-6-4-7-11-20)18-21-12-8-5-9-13-21/h3-16H,1,17-18H2,2H3
InChIKeyCWRFYRVKOGMCFN-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.29
Rot. Bonds7

About [3-(dibenzylamino)-5-methylphenyl] prop-2-enoate

[3-(dibenzylamino)-5-methylphenyl] prop-2-enoate (PubChem CID 58984002) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is [3-(dibenzylamino)-5-methylphenyl] prop-2-enoate.

Molecular Properties

Compound Name[3-(dibenzylamino)-5-methylphenyl] prop-2-enoate
PubChem CID58984002
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name[3-(dibenzylamino)-5-methylphenyl] prop-2-enoate
SMILESC=CC(=O)Oc1cc(C)cc(N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C24H23NO2/c1-3-24(26)27-23-15-19(2)14-22(16-23)25(17-20-10-6-4-7-11-20)18-21-12-8-5-9-13-21/h3-16H,1,17-18H2,2H3
InChIKeyCWRFYRVKOGMCFN-UHFFFAOYSA-N
XLogP5.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-(dibenzylamino)-5-methylphenyl] 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

[4-[(N-benzylanilino)methyl]phenyl] prop-2-enoate
CID 58984007
[3-methyl-5-(2-methylpropyl)phenyl] prop-2-enoate
CID 121334762
ethene;(3-methylphenyl) prop-2-enoate
CID 161018707
[4-(4-methyl-N-[2-methyl-4-[3-methyl-4-(4-methyl-N-(3-methyl-5-prop-2-enoyloxyphenyl)anilino)phenyl]phenyl]anilino)phenyl] prop-2-enoate
CID 22089804
[4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate
CID 89016777
[3-(3-methoxy-N-(3-methylphenyl)anilino)phenyl] prop-2-enoate
CID 163477800
4-(dibenzylamino)-2,6-dimethylbenzaldehyde
CID 86163610
[4-[4-[N-[[4-(N-phenylanilino)phenyl]methyl]-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 58520157
3-[benzyl(ethyl)amino]-5-methylbenzenesulfonic acid
CID 101317585
[4-(N-propylanilino)phenyl] prop-2-enoate
CID 145430713
[4-[N-(4-phenylbutan-2-yl)anilino]phenyl] prop-2-enoate
CID 88981889
[4-[4-(N-(3-methylphenyl)-4-prop-2-enoyloxyanilino)phenyl]phenyl] prop-2-enoate
CID 59832794

Frequently Asked Questions

What is the IUPAC name of [3-(dibenzylamino)-5-methylphenyl] prop-2-enoate?
The IUPAC name of [3-(dibenzylamino)-5-methylphenyl] prop-2-enoate (CID 58984002) is [3-(dibenzylamino)-5-methylphenyl] prop-2-enoate.
What is the SMILES notation for [3-(dibenzylamino)-5-methylphenyl] prop-2-enoate?
The canonical SMILES for [3-(dibenzylamino)-5-methylphenyl] prop-2-enoate is C=CC(=O)Oc1cc(C)cc(N(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of [3-(dibenzylamino)-5-methylphenyl] prop-2-enoate?
The InChIKey is CWRFYRVKOGMCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-3-24(26)27-23-15-19(2)14-22(16-23)25(17-20-10-6-4-7-11-20)18-21-12-8-5-9-13-21/h3-16H,1,17-18H2,2H3.
What are the key properties of [3-(dibenzylamino)-5-methylphenyl] prop-2-enoate?
[3-(dibenzylamino)-5-methylphenyl] prop-2-enoate has a molecular weight of 357.45 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dibenzylamino)-5-methylphenyl] prop-2-enoate is sourced from PubChem (CID 58984002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).