(2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate

C18H17NO4 — CID 3291781

IUPAC(2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
SMILESCOc1cccc(C=C(C(=O)OCC(N)=O)c2ccccc2)c1
InChIInChI=1S/C18H17NO4/c1-22-15-9-5-6-13(10-15)11-16(14-7-3-2-4-8-14)18(21)23-12-17(19)20/h2-11H,12H2,1H3,(H2,19,20)
InChIKeyZGOGMGSGPSSJHZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.26
Rot. Bonds6

About (2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate

(2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate (PubChem CID 3291781) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
PubChem CID3291781
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name(2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
SMILESCOc1cccc(C=C(C(=O)OCC(N)=O)c2ccccc2)c1
InChIInChI=1S/C18H17NO4/c1-22-15-9-5-6-13(10-15)11-16(14-7-3-2-4-8-14)18(21)23-12-17(19)20/h2-11H,12H2,1H3,(H2,19,20)
InChIKeyZGOGMGSGPSSJHZ-UHFFFAOYSA-N
XLogP2.26
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-oxo-2-piperidin-1-ylethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 71953731
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 4834788
(2-chlorophenyl)methyl (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 2435461
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 4831135
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 8004505
(2-chloro-6-fluorophenyl)methyl 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 4291817
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 7860674
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] (Z)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 92945293
(E)-2,3-bis(3-methoxyphenyl)prop-2-enoic acid
CID 13378251
(2-amino-2-oxoethyl) 3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 5025744
[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 71953736
methyl 2-amino-3-(3-methoxyphenyl)prop-2-enoate
CID 141072187

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate?
The IUPAC name of (2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate (CID 3291781) is (2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate?
The canonical SMILES for (2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate is COc1cccc(C=C(C(=O)OCC(N)=O)c2ccccc2)c1.
What is the InChIKey of (2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate?
The InChIKey is ZGOGMGSGPSSJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-22-15-9-5-6-13(10-15)11-16(14-7-3-2-4-8-14)18(21)23-12-17(19)20/h2-11H,12H2,1H3,(H2,19,20).
What are the key properties of (2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate?
(2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate has a molecular weight of 311.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate is sourced from PubChem (CID 3291781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).