methyl (Z)-4-[1-(2-chlorophenyl)ethylamino]-2-ethylbut-2-enoate

C15H20ClNO2 — CID 103245792

IUPACmethyl (Z)-4-[1-(2-chlorophenyl)ethylamino]-2-ethylbut-2-enoate
SMILESCC/C(=C/CNC(C)c1ccccc1Cl)C(=O)OC
InChIInChI=1S/C15H20ClNO2/c1-4-12(15(18)19-3)9-10-17-11(2)13-7-5-6-8-14(13)16/h5-9,11,17H,4,10H2,1-3H3/b12-9-
InChIKeyPHZLSGPMFPIFOL-XFXZXTDPSA-N
MW281.78 g/mol
LogP3.50
Rot. Bonds6

About methyl (Z)-4-[1-(2-chlorophenyl)ethylamino]-2-ethylbut-2-enoate

methyl (Z)-4-[1-(2-chlorophenyl)ethylamino]-2-ethylbut-2-enoate (PubChem CID 103245792) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is methyl (Z)-4-[1-(2-chlorophenyl)ethylamino]-2-ethylbut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-[1-(2-chlorophenyl)ethylamino]-2-ethylbut-2-enoate
PubChem CID103245792
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Namemethyl (Z)-4-[1-(2-chlorophenyl)ethylamino]-2-ethylbut-2-enoate
SMILESCC/C(=C/CNC(C)c1ccccc1Cl)C(=O)OC
InChIInChI=1S/C15H20ClNO2/c1-4-12(15(18)19-3)9-10-17-11(2)13-7-5-6-8-14(13)16/h5-9,11,17H,4,10H2,1-3H3/b12-9-
InChIKeyPHZLSGPMFPIFOL-XFXZXTDPSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.50
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

(Z)-4-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-ethylbut-2-enoic acid
CID 103260195
N-[1-(2-chlorophenyl)ethyl]-3-methylbut-2-en-1-amine
CID 103605352
methyl (Z)-2-ethyl-4-(4-phenylbutan-2-ylamino)but-2-enoate
CID 103246045
methyl 4-[1-(2-chlorophenyl)ethylamino]butanoate
CID 60694137
methyl N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]carbamate;propane
CID 159889089
methyl 2-ethyl-4-(1-hydroxypropan-2-ylamino)but-2-enoate
CID 103238289
methyl (E)-4-[1-(2-fluorophenyl)ethylamino]-2-methylbut-2-enoate
CID 103728183
methyl (Z)-2-ethyl-4-(1-thiophen-2-ylpropan-2-ylamino)but-2-enoate
CID 103251832
ethyl 3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propanoate
CID 81378408
methyl (Z)-2-ethyl-4-(2-ethylanilino)but-2-enoate
CID 103235876
methyl (Z)-2-ethyl-4-(2-methylanilino)but-2-enoate
CID 103234978
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-[1-(2-chlorophenyl)ethylamino]-2-ethylbut-2-enoate?
The IUPAC name of methyl (Z)-4-[1-(2-chlorophenyl)ethylamino]-2-ethylbut-2-enoate (CID 103245792) is methyl (Z)-4-[1-(2-chlorophenyl)ethylamino]-2-ethylbut-2-enoate.
What is the SMILES notation for methyl (Z)-4-[1-(2-chlorophenyl)ethylamino]-2-ethylbut-2-enoate?
The canonical SMILES for methyl (Z)-4-[1-(2-chlorophenyl)ethylamino]-2-ethylbut-2-enoate is CC/C(=C/CNC(C)c1ccccc1Cl)C(=O)OC.
What is the InChIKey of methyl (Z)-4-[1-(2-chlorophenyl)ethylamino]-2-ethylbut-2-enoate?
The InChIKey is PHZLSGPMFPIFOL-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-4-12(15(18)19-3)9-10-17-11(2)13-7-5-6-8-14(13)16/h5-9,11,17H,4,10H2,1-3H3/b12-9-.
What are the key properties of methyl (Z)-4-[1-(2-chlorophenyl)ethylamino]-2-ethylbut-2-enoate?
methyl (Z)-4-[1-(2-chlorophenyl)ethylamino]-2-ethylbut-2-enoate has a molecular weight of 281.78 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-[1-(2-chlorophenyl)ethylamino]-2-ethylbut-2-enoate is sourced from PubChem (CID 103245792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).