methyl 3-[2-methoxyethyl-[(E)-3-phenylprop-2-enyl]amino]propanoate

C16H23NO3 — CID 78960724

IUPACmethyl 3-[2-methoxyethyl-[(E)-3-phenylprop-2-enyl]amino]propanoate
SMILESCOCCN(C/C=C/c1ccccc1)CCC(=O)OC
InChIInChI=1S/C16H23NO3/c1-19-14-13-17(12-10-16(18)20-2)11-6-9-15-7-4-3-5-8-15/h3-9H,10-14H2,1-2H3/b9-6+
InChIKeyZDEBKAWAOCKHMS-RMKNXTFCSA-N
MW277.36 g/mol
LogP2.21
Rot. Bonds9

About methyl 3-[2-methoxyethyl-[(E)-3-phenylprop-2-enyl]amino]propanoate

methyl 3-[2-methoxyethyl-[(E)-3-phenylprop-2-enyl]amino]propanoate (PubChem CID 78960724) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl-[(E)-3-phenylprop-2-enyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl-[(E)-3-phenylprop-2-enyl]amino]propanoate
PubChem CID78960724
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 3-[2-methoxyethyl-[(E)-3-phenylprop-2-enyl]amino]propanoate
SMILESCOCCN(C/C=C/c1ccccc1)CCC(=O)OC
InChIInChI=1S/C16H23NO3/c1-19-14-13-17(12-10-16(18)20-2)11-6-9-15-7-4-3-5-8-15/h3-9H,10-14H2,1-2H3/b9-6+
InChIKeyZDEBKAWAOCKHMS-RMKNXTFCSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[ethyl(3-phenylprop-2-enyl)amino]propanoate
CID 76931444
methyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate
CID 78959230
methyl 3-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-methoxyethyl)amino]propanoate
CID 107113550
methyl 4-phenylbut-3-enoate;molecular nitrogen
CID 175524038
methyl 8-oxo-8-(3-phenylprop-2-enylamino)octanoate
CID 66958561
methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78983733
N-(2-methoxyethyl)-N-(3-phenylprop-2-enyl)spiro[2.2]pentane-2-carboxamide
CID 171134718
methyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate
CID 78958910
methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78984035
methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate
CID 80601723
dimethylamino (E)-5-phenylpent-4-enoate
CID 174423096
methyl 3-[(5-fluoro-2-methylphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 115970502

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl-[(E)-3-phenylprop-2-enyl]amino]propanoate?
The IUPAC name of methyl 3-[2-methoxyethyl-[(E)-3-phenylprop-2-enyl]amino]propanoate (CID 78960724) is methyl 3-[2-methoxyethyl-[(E)-3-phenylprop-2-enyl]amino]propanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl-[(E)-3-phenylprop-2-enyl]amino]propanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl-[(E)-3-phenylprop-2-enyl]amino]propanoate is COCCN(C/C=C/c1ccccc1)CCC(=O)OC.
What is the InChIKey of methyl 3-[2-methoxyethyl-[(E)-3-phenylprop-2-enyl]amino]propanoate?
The InChIKey is ZDEBKAWAOCKHMS-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H23NO3/c1-19-14-13-17(12-10-16(18)20-2)11-6-9-15-7-4-3-5-8-15/h3-9H,10-14H2,1-2H3/b9-6+.
What are the key properties of methyl 3-[2-methoxyethyl-[(E)-3-phenylprop-2-enyl]amino]propanoate?
methyl 3-[2-methoxyethyl-[(E)-3-phenylprop-2-enyl]amino]propanoate has a molecular weight of 277.36 g/mol, XLogP of 2.21, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl-[(E)-3-phenylprop-2-enyl]amino]propanoate is sourced from PubChem (CID 78960724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).