ethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate

C15H19NO3 — CID 60817403

IUPACethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)/C=C/c1ccc(CC)cc1
InChIInChI=1S/C15H19NO3/c1-3-12-5-7-13(8-6-12)9-10-14(17)16-11-15(18)19-4-2/h5-10H,3-4,11H2,1-2H3,(H,16,17)/b10-9+
InChIKeyFDMXQLFVMHBGOC-MDZDMXLPSA-N
MW261.32 g/mol
LogP1.94
Rot. Bonds6

About ethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate

ethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate (PubChem CID 60817403) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate
PubChem CID60817403
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nameethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)/C=C/c1ccc(CC)cc1
InChIInChI=1S/C15H19NO3/c1-3-12-5-7-13(8-6-12)9-10-14(17)16-11-15(18)19-4-2/h5-10H,3-4,11H2,1-2H3,(H,16,17)/b10-9+
InChIKeyFDMXQLFVMHBGOC-MDZDMXLPSA-N
XLogP1.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]acetate
CID 113290856
ethyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]acetate
CID 6269553
ethyl 2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]acetate
CID 6087824
ethyl 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]acetate
CID 2246384
(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
CID 143411738
ethyl 2-[3-(2,6-dichlorophenyl)prop-2-enoylamino]acetate
CID 2931083
3-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-hydroxypropanamide
CID 106166029
(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(4-ethylphenyl)prop-2-enamide
CID 9426898
(E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide
CID 79676613
ethyl 4-(4-ethylphenyl)but-3-enoate
CID 170795670
methyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]acetate
CID 43404674
methyl (2R)-2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]propanoate
CID 113257899

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate?
The IUPAC name of ethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate (CID 60817403) is ethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate is CCOC(=O)CNC(=O)/C=C/c1ccc(CC)cc1.
What is the InChIKey of ethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate?
The InChIKey is FDMXQLFVMHBGOC-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-12-5-7-13(8-6-12)9-10-14(17)16-11-15(18)19-4-2/h5-10H,3-4,11H2,1-2H3,(H,16,17)/b10-9+.
What are the key properties of ethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate?
ethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate has a molecular weight of 261.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate is sourced from PubChem (CID 60817403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).