methyl 2-[[2-oxoethyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]acetate

C15H16N2O5 — CID 173273881

IUPACmethyl 2-[[2-oxoethyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]acetate
SMILESCOC(=O)CNC(=O)N(CC=O)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H16N2O5/c1-22-14(20)11-16-15(21)17(9-10-18)13(19)8-7-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,16,21)/b8-7+
InChIKeyUZMCJAVWEIYBOD-BQYQJAHWSA-N
MW304.30 g/mol
LogP0.61
Rot. Bonds6

About methyl 2-[[2-oxoethyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]acetate

methyl 2-[[2-oxoethyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]acetate (PubChem CID 173273881) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is methyl 2-[[2-oxoethyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-oxoethyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]acetate
PubChem CID173273881
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Namemethyl 2-[[2-oxoethyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]acetate
SMILESCOC(=O)CNC(=O)N(CC=O)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H16N2O5/c1-22-14(20)11-16-15(21)17(9-10-18)13(19)8-7-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,16,21)/b8-7+
InChIKeyUZMCJAVWEIYBOD-BQYQJAHWSA-N
XLogP0.61
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(ethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273799
(E)-N-acetyl-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273810
(E)-N-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide
CID 173273877
N-[methoxy(methyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54344523
(E)-N-(dimethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273669
methyl 2-(3-phenylprop-2-enoylamino)acetate
CID 582979
N-[bis(2-methoxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54263824
N-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54222824
(E)-N-[ethyl(methylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273813
N-[ethoxy(ethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54377008
(E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273336
(E)-N-[ethyl(ethylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273719

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-oxoethyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]acetate?
The IUPAC name of methyl 2-[[2-oxoethyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]acetate (CID 173273881) is methyl 2-[[2-oxoethyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-oxoethyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-oxoethyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]acetate is COC(=O)CNC(=O)N(CC=O)C(=O)/C=C/c1ccccc1.
What is the InChIKey of methyl 2-[[2-oxoethyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]acetate?
The InChIKey is UZMCJAVWEIYBOD-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-22-14(20)11-16-15(21)17(9-10-18)13(19)8-7-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,16,21)/b8-7+.
What are the key properties of methyl 2-[[2-oxoethyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]acetate?
methyl 2-[[2-oxoethyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]acetate has a molecular weight of 304.30 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-oxoethyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]acetate is sourced from PubChem (CID 173273881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).