benzyl (E)-2-(2-aminophenyl)-3-phenylprop-2-enoate

C22H19NO2 — CID 135022192

IUPACbenzyl (E)-2-(2-aminophenyl)-3-phenylprop-2-enoate
SMILESNc1ccccc1/C(=C\c1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C22H19NO2/c23-21-14-8-7-13-19(21)20(15-17-9-3-1-4-10-17)22(24)25-16-18-11-5-2-6-12-18/h1-15H,16,23H2/b20-15+
InChIKeyAIRIQEAPXADCGX-HMMYKYKNSA-N
MW329.40 g/mol
LogP4.55
Rot. Bonds5

About benzyl (E)-2-(2-aminophenyl)-3-phenylprop-2-enoate

benzyl (E)-2-(2-aminophenyl)-3-phenylprop-2-enoate (PubChem CID 135022192) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is benzyl (E)-2-(2-aminophenyl)-3-phenylprop-2-enoate.

Molecular Properties

Compound Namebenzyl (E)-2-(2-aminophenyl)-3-phenylprop-2-enoate
PubChem CID135022192
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Namebenzyl (E)-2-(2-aminophenyl)-3-phenylprop-2-enoate
SMILESNc1ccccc1/C(=C\c1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C22H19NO2/c23-21-14-8-7-13-19(21)20(15-17-9-3-1-4-10-17)22(24)25-16-18-11-5-2-6-12-18/h1-15H,16,23H2/b20-15+
InChIKeyAIRIQEAPXADCGX-HMMYKYKNSA-N
XLogP4.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z,2Z)-2-benzylidene-4-phenyl-3-phenylmethoxycarbonylbut-3-enoic acid
CID 6916903
3-O-benzyl 1-O-methyl (2Z)-2-benzylidenepropanedioate
CID 14168531
benzyl 3-(4-bromophenyl)-2-methylprop-2-enoate
CID 174954080
benzyl (Z)-3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoate
CID 8852180
dibenzyl 2-(naphthalen-2-ylmethylidene)propanedioate
CID 164672547
calcium;(Z,2Z)-2-benzylidene-4-phenyl-3-phenylmethoxycarbonylbut-3-enoate;benzoate
CID 6916902
dibenzyl 2-(thiophen-2-ylmethylidene)propanedioate
CID 12987266
ethyl 2-(2-aminophenyl)but-2-enoate
CID 165178823
2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide
CID 143726718
dibenzyl 2-(2-phenylethenyl)but-2-enedioate
CID 174770174
2-oxo-2-phenylmethoxyethaneperoxoic acid
CID 88728266
benzyl 2-chloro-2-oxoacetate
CID 11019858

Frequently Asked Questions

What is the IUPAC name of benzyl (E)-2-(2-aminophenyl)-3-phenylprop-2-enoate?
The IUPAC name of benzyl (E)-2-(2-aminophenyl)-3-phenylprop-2-enoate (CID 135022192) is benzyl (E)-2-(2-aminophenyl)-3-phenylprop-2-enoate.
What is the SMILES notation for benzyl (E)-2-(2-aminophenyl)-3-phenylprop-2-enoate?
The canonical SMILES for benzyl (E)-2-(2-aminophenyl)-3-phenylprop-2-enoate is Nc1ccccc1/C(=C\c1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (E)-2-(2-aminophenyl)-3-phenylprop-2-enoate?
The InChIKey is AIRIQEAPXADCGX-HMMYKYKNSA-N. The full InChI is InChI=1S/C22H19NO2/c23-21-14-8-7-13-19(21)20(15-17-9-3-1-4-10-17)22(24)25-16-18-11-5-2-6-12-18/h1-15H,16,23H2/b20-15+.
What are the key properties of benzyl (E)-2-(2-aminophenyl)-3-phenylprop-2-enoate?
benzyl (E)-2-(2-aminophenyl)-3-phenylprop-2-enoate has a molecular weight of 329.40 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (E)-2-(2-aminophenyl)-3-phenylprop-2-enoate is sourced from PubChem (CID 135022192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).