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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Related Compounds

ethyl 2-(2-fluorophenyl)-2-(prop-2-enylamino)propanoate
CID 55063479
methyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate
CID 60788368
ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
CID 60796515
ethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate
CID 61001287
2-(4-bromophenyl)-2-(prop-2-enylamino)propanoic acid
CID 61341410
ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
CID 60797164
ethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate
CID 60795500
ethyl 2-[4-(dimethylamino)phenyl]-2-(prop-2-ynylamino)propanoate
CID 62365825
ethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate
CID 60796519
ethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate
CID 60786846
ethyl (2R)-2-(4-ethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
CID 159573872
ethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate
CID 60786372

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).