3-phenylprop-2-enyl 2-(4-methylanilino)acetate

C18H19NO2 — CID 72682070

IUPAC3-phenylprop-2-enyl 2-(4-methylanilino)acetate
SMILESCc1ccc(NCC(=O)OCC=Cc2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-15-9-11-17(12-10-15)19-14-18(20)21-13-5-8-16-6-3-2-4-7-16/h2-12,19H,13-14H2,1H3
InChIKeyYAXFPCWUPFKXKQ-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.66
Rot. Bonds6

About 3-phenylprop-2-enyl 2-(4-methylanilino)acetate

3-phenylprop-2-enyl 2-(4-methylanilino)acetate (PubChem CID 72682070) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-phenylprop-2-enyl 2-(4-methylanilino)acetate.

Molecular Properties

Compound Name3-phenylprop-2-enyl 2-(4-methylanilino)acetate
PubChem CID72682070
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC Name3-phenylprop-2-enyl 2-(4-methylanilino)acetate
SMILESCc1ccc(NCC(=O)OCC=Cc2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-15-9-11-17(12-10-15)19-14-18(20)21-13-5-8-16-6-3-2-4-7-16/h2-12,19H,13-14H2,1H3
InChIKeyYAXFPCWUPFKXKQ-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenylprop-2-enyl 2-(4-methylanilino)acetate?
The IUPAC name of 3-phenylprop-2-enyl 2-(4-methylanilino)acetate (CID 72682070) is 3-phenylprop-2-enyl 2-(4-methylanilino)acetate.
What is the SMILES notation for 3-phenylprop-2-enyl 2-(4-methylanilino)acetate?
The canonical SMILES for 3-phenylprop-2-enyl 2-(4-methylanilino)acetate is Cc1ccc(NCC(=O)OCC=Cc2ccccc2)cc1.
What is the InChIKey of 3-phenylprop-2-enyl 2-(4-methylanilino)acetate?
The InChIKey is YAXFPCWUPFKXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-15-9-11-17(12-10-15)19-14-18(20)21-13-5-8-16-6-3-2-4-7-16/h2-12,19H,13-14H2,1H3.
What are the key properties of 3-phenylprop-2-enyl 2-(4-methylanilino)acetate?
3-phenylprop-2-enyl 2-(4-methylanilino)acetate has a molecular weight of 281.35 g/mol, XLogP of 3.66, 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-(4-methylanilino)acetate is sourced from PubChem (CID 72682070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).