3-phenylprop-2-enyl 2-(ethylamino)benzoate

C18H19NO2 — CID 174405623

IUPAC3-phenylprop-2-enyl 2-(ethylamino)benzoate
SMILESCCNc1ccccc1C(=O)OCC=Cc1ccccc1
InChIInChI=1S/C18H19NO2/c1-2-19-17-13-7-6-12-16(17)18(20)21-14-8-11-15-9-4-3-5-10-15/h3-13,19H,2,14H2,1H3
InChIKeyQNMMTNZQYLXXTF-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.99
Rot. Bonds6

About 3-phenylprop-2-enyl 2-(ethylamino)benzoate

3-phenylprop-2-enyl 2-(ethylamino)benzoate (PubChem CID 174405623) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-phenylprop-2-enyl 2-(ethylamino)benzoate.

Molecular Properties

Compound Name3-phenylprop-2-enyl 2-(ethylamino)benzoate
PubChem CID174405623
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-phenylprop-2-enyl 2-(ethylamino)benzoate
SMILESCCNc1ccccc1C(=O)OCC=Cc1ccccc1
InChIInChI=1S/C18H19NO2/c1-2-19-17-13-7-6-12-16(17)18(20)21-14-8-11-15-9-4-3-5-10-15/h3-13,19H,2,14H2,1H3
InChIKeyQNMMTNZQYLXXTF-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylprop-2-enyl 2-(propanoylamino)benzoate
CID 174317231
[(E)-3-phenylprop-2-enyl] 2-methylbenzoate
CID 15365126
[(E)-3-phenylprop-2-enyl] 2-(trifluoromethyl)benzoate
CID 5374335
[(E)-3-phenylprop-2-enyl] 2,2-dimethyl-3-oxobutanoate
CID 25170861
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880
[(E)-3-phenylprop-2-enyl] 2-(3,4-dimethylbenzoyl)benzoate
CID 2447236
3-phenylprop-2-enyl butanoate;[(E)-3-phenylprop-2-enyl] butanoate
CID 89428693
[(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate
CID 97380584
2-oxoethyl 2-(methylamino)benzoate
CID 143044559
2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82724577
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027

Frequently Asked Questions

What is the IUPAC name of 3-phenylprop-2-enyl 2-(ethylamino)benzoate?
The IUPAC name of 3-phenylprop-2-enyl 2-(ethylamino)benzoate (CID 174405623) is 3-phenylprop-2-enyl 2-(ethylamino)benzoate.
What is the SMILES notation for 3-phenylprop-2-enyl 2-(ethylamino)benzoate?
The canonical SMILES for 3-phenylprop-2-enyl 2-(ethylamino)benzoate is CCNc1ccccc1C(=O)OCC=Cc1ccccc1.
What is the InChIKey of 3-phenylprop-2-enyl 2-(ethylamino)benzoate?
The InChIKey is QNMMTNZQYLXXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-19-17-13-7-6-12-16(17)18(20)21-14-8-11-15-9-4-3-5-10-15/h3-13,19H,2,14H2,1H3.
What are the key properties of 3-phenylprop-2-enyl 2-(ethylamino)benzoate?
3-phenylprop-2-enyl 2-(ethylamino)benzoate has a molecular weight of 281.36 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylprop-2-enyl 2-(ethylamino)benzoate is sourced from PubChem (CID 174405623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).