ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate

C14H19NO2 — CID 76932222

IUPACethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate
SMILESCCOC(=O)CN(C)CC=Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-17-14(16)12-15(2)11-7-10-13-8-5-4-6-9-13/h4-10H,3,11-12H2,1-2H3
InChIKeyZXBVJLYHGKJOPV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.19
Rot. Bonds6

About ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate

ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate (PubChem CID 76932222) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate
PubChem CID76932222
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate
SMILESCCOC(=O)CN(C)CC=Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-17-14(16)12-15(2)11-7-10-13-8-5-4-6-9-13/h4-10H,3,11-12H2,1-2H3
InChIKeyZXBVJLYHGKJOPV-UHFFFAOYSA-N
XLogP2.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (E)-7-phenylhept-6-enoate
CID 134964924
dimethylamino (E)-5-phenylpent-4-enoate
CID 174423096
ethyl (E)-8-phenyloct-7-enoate
CID 139263664
ethyl 2-[(E)-3-phenylprop-2-enyl]sulfanylacetate
CID 12522446
N-(2,3-dimethylphenyl)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]acetamide
CID 9287588
ethyl 2-[[(E)-3-phenylprop-2-enoyl]-prop-2-enylamino]acetate
CID 78978456
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338
3-phenylprop-2-enyl butanoate;[(E)-3-phenylprop-2-enyl] butanoate
CID 89428693
ethyl carbamate;stilbene
CID 175156091
ethyl acetate;stilbene
CID 159556390
ethyl 2-hydroxy-6-phenylhex-5-enoate
CID 69249152
N-(4-fluorophenyl)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]acetamide
CID 9252985

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate (CID 76932222) is ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate is CCOC(=O)CN(C)CC=Cc1ccccc1.
What is the InChIKey of ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate?
The InChIKey is ZXBVJLYHGKJOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-17-14(16)12-15(2)11-7-10-13-8-5-4-6-9-13/h4-10H,3,11-12H2,1-2H3.
What are the key properties of ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate?
ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate has a molecular weight of 233.31 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate is sourced from PubChem (CID 76932222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).