ethyl 2-(4-ethylphenyl)-2-(prop-2-enylamino)propanoate

C16H23NO2 — CID 55063576

IUPACethyl 2-(4-ethylphenyl)-2-(prop-2-enylamino)propanoate
SMILESC=CCNC(C)(C(=O)OCC)c1ccc(CC)cc1
InChIInChI=1S/C16H23NO2/c1-5-12-17-16(4,15(18)19-7-3)14-10-8-13(6-2)9-11-14/h5,8-11,17H,1,6-7,12H2,2-4H3
InChIKeyOPBDQFOVMRSDIS-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.80
Rot. Bonds7

About ethyl 2-(4-ethylphenyl)-2-(prop-2-enylamino)propanoate

ethyl 2-(4-ethylphenyl)-2-(prop-2-enylamino)propanoate (PubChem CID 55063576) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is ethyl 2-(4-ethylphenyl)-2-(prop-2-enylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-ethylphenyl)-2-(prop-2-enylamino)propanoate
PubChem CID55063576
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Nameethyl 2-(4-ethylphenyl)-2-(prop-2-enylamino)propanoate
SMILESC=CCNC(C)(C(=O)OCC)c1ccc(CC)cc1
InChIInChI=1S/C16H23NO2/c1-5-12-17-16(4,15(18)19-7-3)14-10-8-13(6-2)9-11-14/h5,8-11,17H,1,6-7,12H2,2-4H3
InChIKeyOPBDQFOVMRSDIS-UHFFFAOYSA-N
XLogP2.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.80
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-(4-ethylphenyl)-2-(prop-2-enylamino)propanoate?
The IUPAC name of ethyl 2-(4-ethylphenyl)-2-(prop-2-enylamino)propanoate (CID 55063576) is ethyl 2-(4-ethylphenyl)-2-(prop-2-enylamino)propanoate.
What is the SMILES notation for ethyl 2-(4-ethylphenyl)-2-(prop-2-enylamino)propanoate?
The canonical SMILES for ethyl 2-(4-ethylphenyl)-2-(prop-2-enylamino)propanoate is C=CCNC(C)(C(=O)OCC)c1ccc(CC)cc1.
What is the InChIKey of ethyl 2-(4-ethylphenyl)-2-(prop-2-enylamino)propanoate?
The InChIKey is OPBDQFOVMRSDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-12-17-16(4,15(18)19-7-3)14-10-8-13(6-2)9-11-14/h5,8-11,17H,1,6-7,12H2,2-4H3.
What are the key properties of ethyl 2-(4-ethylphenyl)-2-(prop-2-enylamino)propanoate?
ethyl 2-(4-ethylphenyl)-2-(prop-2-enylamino)propanoate has a molecular weight of 261.36 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethylphenyl)-2-(prop-2-enylamino)propanoate is sourced from PubChem (CID 55063576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).