ethyl 2-[3-(2-methoxyphenyl)prop-2-enoylamino]propanoate

C15H19NO4 — CID 76898175

IUPACethyl 2-[3-(2-methoxyphenyl)prop-2-enoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C=Cc1ccccc1OC
InChIInChI=1S/C15H19NO4/c1-4-20-15(18)11(2)16-14(17)10-9-12-7-5-6-8-13(12)19-3/h5-11H,4H2,1-3H3,(H,16,17)
InChIKeyQVLSTVVJYSYQEJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.78
Rot. Bonds6

About ethyl 2-[3-(2-methoxyphenyl)prop-2-enoylamino]propanoate

ethyl 2-[3-(2-methoxyphenyl)prop-2-enoylamino]propanoate (PubChem CID 76898175) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 2-[3-(2-methoxyphenyl)prop-2-enoylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[3-(2-methoxyphenyl)prop-2-enoylamino]propanoate
PubChem CID76898175
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl 2-[3-(2-methoxyphenyl)prop-2-enoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C=Cc1ccccc1OC
InChIInChI=1S/C15H19NO4/c1-4-20-15(18)11(2)16-14(17)10-9-12-7-5-6-8-13(12)19-3/h5-11H,4H2,1-3H3,(H,16,17)
InChIKeyQVLSTVVJYSYQEJ-UHFFFAOYSA-N
XLogP1.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoate
CID 43877540
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618934
(E)-3-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618935
(E)-3-(2-methoxyphenyl)-N-[(2R)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 40648014
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 9297337
(E)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92682297
methyl 2-[3-(2-methylphenyl)prop-2-enoylamino]propanoate
CID 60637866
(E)-N-[1-(4-butan-2-ylphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 17371624
(E)-3-(2-methoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]prop-2-enamide
CID 132651000
(E)-N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 40618833
(2R)-2-[3-(2-methoxyphenyl)prop-2-enoylamino]-3-methylbutanoic acid
CID 79011008
(E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 110001866

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-methoxyphenyl)prop-2-enoylamino]propanoate?
The IUPAC name of ethyl 2-[3-(2-methoxyphenyl)prop-2-enoylamino]propanoate (CID 76898175) is ethyl 2-[3-(2-methoxyphenyl)prop-2-enoylamino]propanoate.
What is the SMILES notation for ethyl 2-[3-(2-methoxyphenyl)prop-2-enoylamino]propanoate?
The canonical SMILES for ethyl 2-[3-(2-methoxyphenyl)prop-2-enoylamino]propanoate is CCOC(=O)C(C)NC(=O)C=Cc1ccccc1OC.
What is the InChIKey of ethyl 2-[3-(2-methoxyphenyl)prop-2-enoylamino]propanoate?
The InChIKey is QVLSTVVJYSYQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-4-20-15(18)11(2)16-14(17)10-9-12-7-5-6-8-13(12)19-3/h5-11H,4H2,1-3H3,(H,16,17).
What are the key properties of ethyl 2-[3-(2-methoxyphenyl)prop-2-enoylamino]propanoate?
ethyl 2-[3-(2-methoxyphenyl)prop-2-enoylamino]propanoate has a molecular weight of 277.32 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-methoxyphenyl)prop-2-enoylamino]propanoate is sourced from PubChem (CID 76898175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).