ethyl 2-[(2-phenylethylamino)methyl]prop-2-enoate

C14H19NO2 — CID 103234136

IUPACethyl 2-[(2-phenylethylamino)methyl]prop-2-enoate
SMILESC=C(CNCCc1ccccc1)C(=O)OCC
InChIInChI=1S/C14H19NO2/c1-3-17-14(16)12(2)11-15-10-9-13-7-5-4-6-8-13/h4-8,15H,2-3,9-11H2,1H3
InChIKeySKUMWJAWJFQLLB-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.94
Rot. Bonds7

About ethyl 2-[(2-phenylethylamino)methyl]prop-2-enoate

ethyl 2-[(2-phenylethylamino)methyl]prop-2-enoate (PubChem CID 103234136) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 2-[(2-phenylethylamino)methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[(2-phenylethylamino)methyl]prop-2-enoate
PubChem CID103234136
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl 2-[(2-phenylethylamino)methyl]prop-2-enoate
SMILESC=C(CNCCc1ccccc1)C(=O)OCC
InChIInChI=1S/C14H19NO2/c1-3-17-14(16)12(2)11-15-10-9-13-7-5-4-6-8-13/h4-8,15H,2-3,9-11H2,1H3
InChIKeySKUMWJAWJFQLLB-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[2-(4-methoxyphenyl)ethylamino]methyl]prop-2-enoate
CID 103232754
ethyl 2-[[3-(N-methylanilino)propylamino]methyl]prop-2-enoate
CID 103232573
ethyl 2-[[(4-ethylphenyl)methylamino]methyl]prop-2-enoate
CID 106900203
2-ethoxy-N-(2-phenylethyl)but-2-en-1-amine
CID 139900914
ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate
CID 108999964
3-O-benzyl 1-O-ethyl 2-methylidenepropanedioate
CID 118947180
butyl 2-(2-phenylethylamino)acetate
CID 60679601
ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate
CID 103234112
ethyl 2-[[benzyl(hydroxy)amino]methyl]prop-2-enoate
CID 135045197
N-pentan-3-yl-2-(2-phenylethylamino)acetamide
CID 60671321
ethyl 2-[(2-bromoanilino)methyl]prop-2-enoate
CID 103234400
ethyl (2S)-2-(benzylamino)-3-(2-phenylethylamino)propanoate
CID 10936300

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-phenylethylamino)methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[(2-phenylethylamino)methyl]prop-2-enoate (CID 103234136) is ethyl 2-[(2-phenylethylamino)methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[(2-phenylethylamino)methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[(2-phenylethylamino)methyl]prop-2-enoate is C=C(CNCCc1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl 2-[(2-phenylethylamino)methyl]prop-2-enoate?
The InChIKey is SKUMWJAWJFQLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-17-14(16)12(2)11-15-10-9-13-7-5-4-6-8-13/h4-8,15H,2-3,9-11H2,1H3.
What are the key properties of ethyl 2-[(2-phenylethylamino)methyl]prop-2-enoate?
ethyl 2-[(2-phenylethylamino)methyl]prop-2-enoate has a molecular weight of 233.31 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-phenylethylamino)methyl]prop-2-enoate is sourced from PubChem (CID 103234136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).