propyl (Z)-2-acetamido-3-phenylprop-2-enoate

C14H17NO3 — CID 12635852

IUPACpropyl (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCCCOC(=O)/C(=C/c1ccccc1)NC(C)=O
InChIInChI=1S/C14H17NO3/c1-3-9-18-14(17)13(15-11(2)16)10-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,15,16)/b13-10-
InChIKeyJESPAAIIHJUWOU-RAXLEYEMSA-N
MW247.29 g/mol
LogP2.12
Rot. Bonds5

About propyl (Z)-2-acetamido-3-phenylprop-2-enoate

propyl (Z)-2-acetamido-3-phenylprop-2-enoate (PubChem CID 12635852) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is propyl (Z)-2-acetamido-3-phenylprop-2-enoate.

Molecular Properties

Compound Namepropyl (Z)-2-acetamido-3-phenylprop-2-enoate
PubChem CID12635852
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namepropyl (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCCCOC(=O)/C(=C/c1ccccc1)NC(C)=O
InChIInChI=1S/C14H17NO3/c1-3-9-18-14(17)13(15-11(2)16)10-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,15,16)/b13-10-
InChIKeyJESPAAIIHJUWOU-RAXLEYEMSA-N
XLogP2.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 98572547
2-(4-fluorophenoxy)ethyl (E)-2-acetamido-3-phenylprop-2-enoate
CID 2537158
[2-oxo-2-(4-propylphenyl)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7229310
butyl 4-[[2-[(Z)-2-acetamido-3-phenylprop-2-enoyl]oxyacetyl]amino]benzoate
CID 18225441
2-(2,4-dichlorophenoxy)ethyl (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7554951
cyclohexylmethyl 2-acetamido-3-phenylprop-2-enoate
CID 7229393
[2-(benzylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284841
[2-oxo-2-(2-phenoxyethylamino)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 8522752
[2-(4-methoxyanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284834
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 2610338
(Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide
CID 8767931
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 98572561

Frequently Asked Questions

What is the IUPAC name of propyl (Z)-2-acetamido-3-phenylprop-2-enoate?
The IUPAC name of propyl (Z)-2-acetamido-3-phenylprop-2-enoate (CID 12635852) is propyl (Z)-2-acetamido-3-phenylprop-2-enoate.
What is the SMILES notation for propyl (Z)-2-acetamido-3-phenylprop-2-enoate?
The canonical SMILES for propyl (Z)-2-acetamido-3-phenylprop-2-enoate is CCCOC(=O)/C(=C/c1ccccc1)NC(C)=O.
What is the InChIKey of propyl (Z)-2-acetamido-3-phenylprop-2-enoate?
The InChIKey is JESPAAIIHJUWOU-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-9-18-14(17)13(15-11(2)16)10-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,15,16)/b13-10-.
What are the key properties of propyl (Z)-2-acetamido-3-phenylprop-2-enoate?
propyl (Z)-2-acetamido-3-phenylprop-2-enoate has a molecular weight of 247.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (Z)-2-acetamido-3-phenylprop-2-enoate is sourced from PubChem (CID 12635852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).