ethyl 2-phenyl-2-(prop-2-enylamino)acetate

C13H17NO2 — CID 20833903

IUPACethyl 2-phenyl-2-(prop-2-enylamino)acetate
SMILESC=CCNC(C(=O)OCC)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-10-14-12(13(15)16-4-2)11-8-6-5-7-9-11/h3,5-9,12,14H,1,4,10H2,2H3
InChIKeyKGBQVJCVQJNIPA-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.07
Rot. Bonds6

About ethyl 2-phenyl-2-(prop-2-enylamino)acetate

ethyl 2-phenyl-2-(prop-2-enylamino)acetate (PubChem CID 20833903) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethyl 2-phenyl-2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Nameethyl 2-phenyl-2-(prop-2-enylamino)acetate
PubChem CID20833903
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameethyl 2-phenyl-2-(prop-2-enylamino)acetate
SMILESC=CCNC(C(=O)OCC)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-10-14-12(13(15)16-4-2)11-8-6-5-7-9-11/h3,5-9,12,14H,1,4,10H2,2H3
InChIKeyKGBQVJCVQJNIPA-UHFFFAOYSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-2-(prop-2-enylamino)acetate?
The IUPAC name of ethyl 2-phenyl-2-(prop-2-enylamino)acetate (CID 20833903) is ethyl 2-phenyl-2-(prop-2-enylamino)acetate.
What is the SMILES notation for ethyl 2-phenyl-2-(prop-2-enylamino)acetate?
The canonical SMILES for ethyl 2-phenyl-2-(prop-2-enylamino)acetate is C=CCNC(C(=O)OCC)c1ccccc1.
What is the InChIKey of ethyl 2-phenyl-2-(prop-2-enylamino)acetate?
The InChIKey is KGBQVJCVQJNIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-10-14-12(13(15)16-4-2)11-8-6-5-7-9-11/h3,5-9,12,14H,1,4,10H2,2H3.
What are the key properties of ethyl 2-phenyl-2-(prop-2-enylamino)acetate?
ethyl 2-phenyl-2-(prop-2-enylamino)acetate has a molecular weight of 219.28 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-2-(prop-2-enylamino)acetate is sourced from PubChem (CID 20833903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).