[2-oxo-2-(4-propylphenyl)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate

C22H23NO4 — CID 7229310

IUPAC[2-oxo-2-(4-propylphenyl)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCCCc1ccc(C(=O)COC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1
InChIInChI=1S/C22H23NO4/c1-3-7-17-10-12-19(13-11-17)21(25)15-27-22(26)20(23-16(2)24)14-18-8-5-4-6-9-18/h4-6,8-14H,3,7,15H2,1-2H3,(H,23,24)/b20-14-
InChIKeyFTZGEFYNUBWYFJ-ZHZULCJRSA-N
MW365.43 g/mol
LogP3.54
Rot. Bonds8

About [2-oxo-2-(4-propylphenyl)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate

[2-oxo-2-(4-propylphenyl)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate (PubChem CID 7229310) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is [2-oxo-2-(4-propylphenyl)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-(4-propylphenyl)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
PubChem CID7229310
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name[2-oxo-2-(4-propylphenyl)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCCCc1ccc(C(=O)COC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1
InChIInChI=1S/C22H23NO4/c1-3-7-17-10-12-19(13-11-17)21(25)15-27-22(26)20(23-16(2)24)14-18-8-5-4-6-9-18/h4-6,8-14H,3,7,15H2,1-2H3,(H,23,24)/b20-14-
InChIKeyFTZGEFYNUBWYFJ-ZHZULCJRSA-N
XLogP3.54
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propyl (Z)-2-acetamido-3-phenylprop-2-enoate
CID 12635852
[2-(benzylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284841
[2-(9H-fluoren-3-yl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7983552
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 2610443
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284870
butyl 4-[[2-[(Z)-2-acetamido-3-phenylprop-2-enoyl]oxyacetyl]amino]benzoate
CID 18225441
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7229352
[2-oxo-2-(2-phenoxyethylamino)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 8522752
[(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 98572547
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 2609885
[2-(cyclohexylmethylamino)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 2610326
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 2624075

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate (CID 7229310) is [2-oxo-2-(4-propylphenyl)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate.
What is the SMILES notation for [2-oxo-2-(4-propylphenyl)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The canonical SMILES for [2-oxo-2-(4-propylphenyl)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate is CCCc1ccc(C(=O)COC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1.
What is the InChIKey of [2-oxo-2-(4-propylphenyl)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The InChIKey is FTZGEFYNUBWYFJ-ZHZULCJRSA-N. The full InChI is InChI=1S/C22H23NO4/c1-3-7-17-10-12-19(13-11-17)21(25)15-27-22(26)20(23-16(2)24)14-18-8-5-4-6-9-18/h4-6,8-14H,3,7,15H2,1-2H3,(H,23,24)/b20-14-.
What are the key properties of [2-oxo-2-(4-propylphenyl)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
[2-oxo-2-(4-propylphenyl)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate has a molecular weight of 365.43 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propylphenyl)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate is sourced from PubChem (CID 7229310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).