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

C19H19NO3 — CID 174317231

IUPAC3-phenylprop-2-enyl 2-(propanoylamino)benzoate
SMILESCCC(=O)Nc1ccccc1C(=O)OCC=Cc1ccccc1
InChIInChI=1S/C19H19NO3/c1-2-18(21)20-17-13-7-6-12-16(17)19(22)23-14-8-11-15-9-4-3-5-10-15/h3-13H,2,14H2,1H3,(H,20,21)
InChIKeyJSABSVDGJWHZQJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.91
Rot. Bonds6

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

3-phenylprop-2-enyl 2-(propanoylamino)benzoate (PubChem CID 174317231) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-phenylprop-2-enyl 2-(propanoylamino)benzoate.

Molecular Properties

Compound Name3-phenylprop-2-enyl 2-(propanoylamino)benzoate
PubChem CID174317231
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name3-phenylprop-2-enyl 2-(propanoylamino)benzoate
SMILESCCC(=O)Nc1ccccc1C(=O)OCC=Cc1ccccc1
InChIInChI=1S/C19H19NO3/c1-2-18(21)20-17-13-7-6-12-16(17)19(22)23-14-8-11-15-9-4-3-5-10-15/h3-13H,2,14H2,1H3,(H,20,21)
InChIKeyJSABSVDGJWHZQJ-UHFFFAOYSA-N
XLogP3.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylprop-2-enyl 2-(ethylamino)benzoate
CID 174405623
ethyl 2-(propanoylamino)benzoate
CID 4190428
[(E)-3-phenylprop-2-enyl] 2-methylbenzoate
CID 15365126
[(E)-3-phenylprop-2-enyl] 2-(trifluoromethyl)benzoate
CID 5374335
[(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate
CID 97380584
(2-naphthalen-1-yl-2-oxoethyl) 2-(propanoylamino)benzoate
CID 1218310
2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid
CID 60662085
N-[2-(2-anilino-2-oxoacetyl)phenyl]propanamide
CID 2195525
methane;3-phenylprop-2-enyl acetate
CID 161251880
[(E)-3-phenylprop-2-enyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 42976494
ethyl 2-[[2-(3-methylbut-2-enoyloxy)acetyl]amino]benzoate
CID 8760106
[(E)-3-phenylprop-2-enyl] 2-(3,4-dimethylbenzoyl)benzoate
CID 2447236

Frequently Asked Questions

What is the IUPAC name of 3-phenylprop-2-enyl 2-(propanoylamino)benzoate?
The IUPAC name of 3-phenylprop-2-enyl 2-(propanoylamino)benzoate (CID 174317231) is 3-phenylprop-2-enyl 2-(propanoylamino)benzoate.
What is the SMILES notation for 3-phenylprop-2-enyl 2-(propanoylamino)benzoate?
The canonical SMILES for 3-phenylprop-2-enyl 2-(propanoylamino)benzoate is CCC(=O)Nc1ccccc1C(=O)OCC=Cc1ccccc1.
What is the InChIKey of 3-phenylprop-2-enyl 2-(propanoylamino)benzoate?
The InChIKey is JSABSVDGJWHZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-2-18(21)20-17-13-7-6-12-16(17)19(22)23-14-8-11-15-9-4-3-5-10-15/h3-13H,2,14H2,1H3,(H,20,21).
What are the key properties of 3-phenylprop-2-enyl 2-(propanoylamino)benzoate?
3-phenylprop-2-enyl 2-(propanoylamino)benzoate has a molecular weight of 309.37 g/mol, XLogP of 3.91, 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-(propanoylamino)benzoate is sourced from PubChem (CID 174317231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).