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

C18H17NO4 — CID 2084025

IUPAC(2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
SMILESCOc1ccccc1/C=C(/C(=O)OCC(N)=O)c1ccccc1
InChIInChI=1S/C18H17NO4/c1-22-16-10-6-5-9-14(16)11-15(13-7-3-2-4-8-13)18(21)23-12-17(19)20/h2-11H,12H2,1H3,(H2,19,20)/b15-11+
InChIKeyCBSHTFGLRCTLGH-RVDMUPIBSA-N
MW311.34 g/mol
LogP2.26
Rot. Bonds6

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

(2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate (PubChem CID 2084025) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
PubChem CID2084025
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name(2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
SMILESCOc1ccccc1/C=C(/C(=O)OCC(N)=O)c1ccccc1
InChIInChI=1S/C18H17NO4/c1-22-16-10-6-5-9-14(16)11-15(13-7-3-2-4-8-13)18(21)23-12-17(19)20/h2-11H,12H2,1H3,(H2,19,20)/b15-11+
InChIKeyCBSHTFGLRCTLGH-RVDMUPIBSA-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'}

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Related Compounds

2-((3-Benzyl-4-methyl-2-oxo-2H-chromen-7-YL)oxy)acetamide
CID 744830
2-(Carbamoylmethoxy)benzoic acid
CID 967324
2-{[3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl]oxy}acetamide
CID 1253105
(2-amino-2-oxoethyl) 9H-xanthene-9-carboxylate
CID 2380057
[2-(2-Benzoylhydrazinyl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2488507
2-[(2-oxo-3-phenyl-2H-chromen-7-yl)oxy]acetamide
CID 7198273
2-{4-[(5-Oxo-3-phenylisoxazol-4-ylidene)methyl]phenoxy}acetamide
CID 5292830
[2-(benzylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 2092426
(2-Amino-2-oxoethyl) 4-phenoxybenzoate
CID 2098554
[2-(4-Methoxyphenyl)-2-oxoethyl] 3-phenylpropanoate
CID 2399222
N'-[(2-methylphenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139322
[2-(tert-butylamino)-2-oxoethyl] 9H-xanthene-9-carboxylate
CID 2118973

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate?
The IUPAC name of (2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate (CID 2084025) is (2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate.
What is the SMILES notation for (2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate?
The canonical SMILES for (2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate is COc1ccccc1/C=C(/C(=O)OCC(N)=O)c1ccccc1.
What is the InChIKey of (2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate?
The InChIKey is CBSHTFGLRCTLGH-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H17NO4/c1-22-16-10-6-5-9-14(16)11-15(13-7-3-2-4-8-13)18(21)23-12-17(19)20/h2-11H,12H2,1H3,(H2,19,20)/b15-11+.
What are the key properties of (2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate?
(2-amino-2-oxoethyl) (E)-3-(2-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) (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate is sourced from PubChem (CID 2084025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).