[(E)-3-phenylprop-2-enyl] 5-amino-2-[(E)-prop-1-enyl]benzoate

C19H19NO2 — CID 173249374

IUPAC[(E)-3-phenylprop-2-enyl] 5-amino-2-[(E)-prop-1-enyl]benzoate
SMILESC/C=C/c1ccc(N)cc1C(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C19H19NO2/c1-2-7-16-11-12-17(20)14-18(16)19(21)22-13-6-10-15-8-4-3-5-9-15/h2-12,14H,13,20H2,1H3/b7-2+,10-6+
InChIKeyQDQCNJIJWZAWJA-FOYBORQGSA-N
MW293.37 g/mol
LogP4.17
Rot. Bonds5

About [(E)-3-phenylprop-2-enyl] 5-amino-2-[(E)-prop-1-enyl]benzoate

[(E)-3-phenylprop-2-enyl] 5-amino-2-[(E)-prop-1-enyl]benzoate (PubChem CID 173249374) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] 5-amino-2-[(E)-prop-1-enyl]benzoate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] 5-amino-2-[(E)-prop-1-enyl]benzoate
PubChem CID173249374
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name[(E)-3-phenylprop-2-enyl] 5-amino-2-[(E)-prop-1-enyl]benzoate
SMILESC/C=C/c1ccc(N)cc1C(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C19H19NO2/c1-2-7-16-11-12-17(20)14-18(16)19(21)22-13-6-10-15-8-4-3-5-9-15/h2-12,14H,13,20H2,1H3/b7-2+,10-6+
InChIKeyQDQCNJIJWZAWJA-FOYBORQGSA-N
XLogP4.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(E)-3-phenylprop-2-enyl] 5-amino-2-[(E)-prop-1-enyl]benzoate 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-aminophenyl)methyl 5-amino-2-[(E)-prop-1-enyl]benzoate
CID 173155737
[(E)-3-phenylprop-2-enyl] 2-methylbenzoate
CID 15365126
3-phenylprop-2-enyl 3-hydroxybenzoate
CID 71953563
3-phenylprop-2-enyl 3-bromobenzoate
CID 4616313
[(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate
CID 97380584
[(E)-3-phenylprop-2-enyl] (E)-but-2-enoate
CID 20693228
[(E)-3-phenylprop-2-enyl] 2-(3,4-dimethylbenzoyl)benzoate
CID 2447236
[(E)-3-phenylprop-2-enyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9386000
[(E)-but-2-enyl] benzoate
CID 5352600
3-phenylprop-2-enyl 2-(ethylamino)benzoate
CID 174405623
3-phenylprop-2-enyl 4-formylbenzoate
CID 163212040
[(E)-3-phenylprop-2-enyl] 4-chlorobenzoate
CID 5372534

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] 5-amino-2-[(E)-prop-1-enyl]benzoate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] 5-amino-2-[(E)-prop-1-enyl]benzoate (CID 173249374) is [(E)-3-phenylprop-2-enyl] 5-amino-2-[(E)-prop-1-enyl]benzoate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] 5-amino-2-[(E)-prop-1-enyl]benzoate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] 5-amino-2-[(E)-prop-1-enyl]benzoate is C/C=C/c1ccc(N)cc1C(=O)OC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] 5-amino-2-[(E)-prop-1-enyl]benzoate?
The InChIKey is QDQCNJIJWZAWJA-FOYBORQGSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-7-16-11-12-17(20)14-18(16)19(21)22-13-6-10-15-8-4-3-5-9-15/h2-12,14H,13,20H2,1H3/b7-2+,10-6+.
What are the key properties of [(E)-3-phenylprop-2-enyl] 5-amino-2-[(E)-prop-1-enyl]benzoate?
[(E)-3-phenylprop-2-enyl] 5-amino-2-[(E)-prop-1-enyl]benzoate has a molecular weight of 293.37 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] 5-amino-2-[(E)-prop-1-enyl]benzoate is sourced from PubChem (CID 173249374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).