ethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate

C16H23NO3 — CID 78977811

IUPACethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate
SMILESC=CCN(CCc1ccc(OC)cc1)CC(=O)OCC
InChIInChI=1S/C16H23NO3/c1-4-11-17(13-16(18)20-5-2)12-10-14-6-8-15(19-3)9-7-14/h4,6-9H,1,5,10-13H2,2-3H3
InChIKeyVFUMENWRRXUSBF-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.29
Rot. Bonds9

About ethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate

ethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate (PubChem CID 78977811) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate
PubChem CID78977811
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate
SMILESC=CCN(CCc1ccc(OC)cc1)CC(=O)OCC
InChIInChI=1S/C16H23NO3/c1-4-11-17(13-16(18)20-5-2)12-10-14-6-8-15(19-3)9-7-14/h4,6-9H,1,5,10-13H2,2-3H3
InChIKeyVFUMENWRRXUSBF-UHFFFAOYSA-N
XLogP2.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]propanoic acid
CID 82327972
2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol
CID 115631911
ethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate
CID 61022615
ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate
CID 110287988
ethyl 4-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]butanoate
CID 54302600
ethyl 2-[hexyl(prop-2-enyl)amino]acetate
CID 79002539
ethyl 2-[3,3-dimethylbutyl(prop-2-enyl)amino]acetate
CID 78957213
ethyl 2-[(5-methylfuran-2-yl)methyl-prop-2-enylamino]acetate
CID 115539193
ethyl 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-prop-2-enylamino]acetate
CID 79047847
2-[(4-methoxyphenyl)methyl-prop-2-enylamino]-N-methyl-N-propan-2-ylacetamide
CID 87033932
ethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate
CID 115539187
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate (CID 78977811) is ethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate is C=CCN(CCc1ccc(OC)cc1)CC(=O)OCC.
What is the InChIKey of ethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate?
The InChIKey is VFUMENWRRXUSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-11-17(13-16(18)20-5-2)12-10-14-6-8-15(19-3)9-7-14/h4,6-9H,1,5,10-13H2,2-3H3.
What are the key properties of ethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate?
ethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate has a molecular weight of 277.36 g/mol, XLogP of 2.29, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate is sourced from PubChem (CID 78977811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).