ethyl (E)-3-[4-(2-methoxyethylamino)phenyl]prop-2-enoate

C14H19NO3 — CID 22113287

IUPACethyl (E)-3-[4-(2-methoxyethylamino)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(NCCOC)cc1
InChIInChI=1S/C14H19NO3/c1-3-18-14(16)9-6-12-4-7-13(8-5-12)15-10-11-17-2/h4-9,15H,3,10-11H2,1-2H3/b9-6+
InChIKeyNVZFFRLUSAGVMX-RMKNXTFCSA-N
MW249.31 g/mol
LogP2.32
Rot. Bonds7

About ethyl (E)-3-[4-(2-methoxyethylamino)phenyl]prop-2-enoate

ethyl (E)-3-[4-(2-methoxyethylamino)phenyl]prop-2-enoate (PubChem CID 22113287) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl (E)-3-[4-(2-methoxyethylamino)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[4-(2-methoxyethylamino)phenyl]prop-2-enoate
PubChem CID22113287
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl (E)-3-[4-(2-methoxyethylamino)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(NCCOC)cc1
InChIInChI=1S/C14H19NO3/c1-3-18-14(16)9-6-12-4-7-13(8-5-12)15-10-11-17-2/h4-9,15H,3,10-11H2,1-2H3/b9-6+
InChIKeyNVZFFRLUSAGVMX-RMKNXTFCSA-N
XLogP2.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.32
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'}

Analyze ethyl (E)-3-[4-(2-methoxyethylamino)phenyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[4-(14-trimethylsilyltetradecylamino)phenyl]prop-2-enoate
CID 54047966
ethyl 3-[4-(octadec-9-enylamino)phenyl]prop-2-enoate
CID 57184227
ethyl (E)-3-[4-[(2-amino-3-methoxypropanoyl)amino]phenyl]prop-2-enoate
CID 81071877
ethyl (E)-3-[4-[(2-amino-2-methylpropanoyl)amino]phenyl]prop-2-enoate
CID 66931798
ethyl 3-[4-[(2-amino-2-methylpropanoyl)amino]phenyl]prop-2-enoate
CID 58866370
methyl (E)-3-[4-(2-hydroxyethylamino)phenyl]prop-2-enoate
CID 18943724
ethyl 5-[4-(undec-10-enylamino)phenyl]penta-2,4-dienoate
CID 54246822
ethyl (E)-3-[4-[acetyl(2-methoxyethyl)amino]phenyl]prop-2-enoate
CID 22113148
ethyl 3-[4-(5-phenylhex-3-enylamino)phenyl]prop-2-enoate
CID 57024577
methyl (E)-3-[4-[[4-[(E)-3-methoxy-3-oxoprop-1-enyl]anilino]methylamino]phenyl]prop-2-enoate
CID 102327819
ethyl 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate
CID 169480970
4-(3-ethoxy-3-oxoprop-1-enyl)-N-[4-(3-ethoxy-3-oxoprop-1-enyl)anilino]benzeneamine oxide
CID 163154362

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[4-(2-methoxyethylamino)phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[4-(2-methoxyethylamino)phenyl]prop-2-enoate (CID 22113287) is ethyl (E)-3-[4-(2-methoxyethylamino)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[4-(2-methoxyethylamino)phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[4-(2-methoxyethylamino)phenyl]prop-2-enoate is CCOC(=O)/C=C/c1ccc(NCCOC)cc1.
What is the InChIKey of ethyl (E)-3-[4-(2-methoxyethylamino)phenyl]prop-2-enoate?
The InChIKey is NVZFFRLUSAGVMX-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-18-14(16)9-6-12-4-7-13(8-5-12)15-10-11-17-2/h4-9,15H,3,10-11H2,1-2H3/b9-6+.
What are the key properties of ethyl (E)-3-[4-(2-methoxyethylamino)phenyl]prop-2-enoate?
ethyl (E)-3-[4-(2-methoxyethylamino)phenyl]prop-2-enoate has a molecular weight of 249.31 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[4-(2-methoxyethylamino)phenyl]prop-2-enoate is sourced from PubChem (CID 22113287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).