ethyl 2-[[2-(4-methoxyphenyl)ethylamino]methyl]prop-2-enoate

C15H21NO3 — CID 103232754

IUPACethyl 2-[[2-(4-methoxyphenyl)ethylamino]methyl]prop-2-enoate
SMILESC=C(CNCCc1ccc(OC)cc1)C(=O)OCC
InChIInChI=1S/C15H21NO3/c1-4-19-15(17)12(2)11-16-10-9-13-5-7-14(18-3)8-6-13/h5-8,16H,2,4,9-11H2,1,3H3
InChIKeyRUTNPQJHSXRFFB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.95
Rot. Bonds8

About ethyl 2-[[2-(4-methoxyphenyl)ethylamino]methyl]prop-2-enoate

ethyl 2-[[2-(4-methoxyphenyl)ethylamino]methyl]prop-2-enoate (PubChem CID 103232754) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2-[[2-(4-methoxyphenyl)ethylamino]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-methoxyphenyl)ethylamino]methyl]prop-2-enoate
PubChem CID103232754
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 2-[[2-(4-methoxyphenyl)ethylamino]methyl]prop-2-enoate
SMILESC=C(CNCCc1ccc(OC)cc1)C(=O)OCC
InChIInChI=1S/C15H21NO3/c1-4-19-15(17)12(2)11-16-10-9-13-5-7-14(18-3)8-6-13/h5-8,16H,2,4,9-11H2,1,3H3
InChIKeyRUTNPQJHSXRFFB-UHFFFAOYSA-N
XLogP1.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2-phenylethylamino)methyl]prop-2-enoate
CID 103234136
ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate
CID 28574259
2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide
CID 28574182
ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate
CID 54351907
N-(2,6-diethylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001189
N-[2-(4-methoxyphenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328049
N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine
CID 43387940
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997174
N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-phenylacetamide
CID 109001184
2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210163
methyl 2-[2-(4-ethoxyphenyl)ethylamino]acetate
CID 115233033
2-[2-(4-methoxyphenyl)ethylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 109001188

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-methoxyphenyl)ethylamino]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[2-(4-methoxyphenyl)ethylamino]methyl]prop-2-enoate (CID 103232754) is ethyl 2-[[2-(4-methoxyphenyl)ethylamino]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[2-(4-methoxyphenyl)ethylamino]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[2-(4-methoxyphenyl)ethylamino]methyl]prop-2-enoate is C=C(CNCCc1ccc(OC)cc1)C(=O)OCC.
What is the InChIKey of ethyl 2-[[2-(4-methoxyphenyl)ethylamino]methyl]prop-2-enoate?
The InChIKey is RUTNPQJHSXRFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-19-15(17)12(2)11-16-10-9-13-5-7-14(18-3)8-6-13/h5-8,16H,2,4,9-11H2,1,3H3.
What are the key properties of ethyl 2-[[2-(4-methoxyphenyl)ethylamino]methyl]prop-2-enoate?
ethyl 2-[[2-(4-methoxyphenyl)ethylamino]methyl]prop-2-enoate has a molecular weight of 263.34 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-methoxyphenyl)ethylamino]methyl]prop-2-enoate is sourced from PubChem (CID 103232754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).