prop-2-enyl 3-oxo-3-(2-phenylethylamino)propanoate

C14H17NO3 — CID 67260605

IUPACprop-2-enyl 3-oxo-3-(2-phenylethylamino)propanoate
SMILESC=CCOC(=O)CC(=O)NCCc1ccccc1
InChIInChI=1S/C14H17NO3/c1-2-10-18-14(17)11-13(16)15-9-8-12-6-4-3-5-7-12/h2-7H,1,8-11H2,(H,15,16)
InChIKeyLHWQWJZUVKZFPN-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.46
Rot. Bonds7

About prop-2-enyl 3-oxo-3-(2-phenylethylamino)propanoate

prop-2-enyl 3-oxo-3-(2-phenylethylamino)propanoate (PubChem CID 67260605) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is prop-2-enyl 3-oxo-3-(2-phenylethylamino)propanoate.

Molecular Properties

Compound Nameprop-2-enyl 3-oxo-3-(2-phenylethylamino)propanoate
PubChem CID67260605
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nameprop-2-enyl 3-oxo-3-(2-phenylethylamino)propanoate
SMILESC=CCOC(=O)CC(=O)NCCc1ccccc1
InChIInChI=1S/C14H17NO3/c1-2-10-18-14(17)11-13(16)15-9-8-12-6-4-3-5-7-12/h2-7H,1,8-11H2,(H,15,16)
InChIKeyLHWQWJZUVKZFPN-UHFFFAOYSA-N
XLogP1.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
CID 155534232
methyl 3-oxo-3-(2-phenylethylamino)propanoate
CID 15006667
N-(2-phenylethyl)undec-10-enamide
CID 3930064
N-(2-phenylethyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826305
N-(2-phenylethyl)-N'-prop-2-enyloxamide
CID 2058117
methyl 8-oxo-8-(2-phenylethylamino)octanoate
CID 42600200
2-phenylethylcarbamothioic S-acid
CID 11116669
[2-oxo-2-(2-phenylethylamino)ethyl] 3-methylbut-2-enoate
CID 8760100
3-phenylpropyl 4-oxo-4-(2-phenylethylamino)butanoate
CID 4934229
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea
CID 60576890
prop-2-enyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 127503444

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-oxo-3-(2-phenylethylamino)propanoate?
The IUPAC name of prop-2-enyl 3-oxo-3-(2-phenylethylamino)propanoate (CID 67260605) is prop-2-enyl 3-oxo-3-(2-phenylethylamino)propanoate.
What is the SMILES notation for prop-2-enyl 3-oxo-3-(2-phenylethylamino)propanoate?
The canonical SMILES for prop-2-enyl 3-oxo-3-(2-phenylethylamino)propanoate is C=CCOC(=O)CC(=O)NCCc1ccccc1.
What is the InChIKey of prop-2-enyl 3-oxo-3-(2-phenylethylamino)propanoate?
The InChIKey is LHWQWJZUVKZFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-10-18-14(17)11-13(16)15-9-8-12-6-4-3-5-7-12/h2-7H,1,8-11H2,(H,15,16).
What are the key properties of prop-2-enyl 3-oxo-3-(2-phenylethylamino)propanoate?
prop-2-enyl 3-oxo-3-(2-phenylethylamino)propanoate has a molecular weight of 247.29 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-oxo-3-(2-phenylethylamino)propanoate is sourced from PubChem (CID 67260605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).