2-[N-ethyl-4-[2-(methylamino)cyclobuten-1-yl]anilino]ethyl 2-methylprop-2-enoate

C19H26N2O2 — CID 151360943

IUPAC2-[N-ethyl-4-[2-(methylamino)cyclobuten-1-yl]anilino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(CC)c1ccc(C2=C(NC)CC2)cc1
InChIInChI=1S/C19H26N2O2/c1-5-21(12-13-23-19(22)14(2)3)16-8-6-15(7-9-16)17-10-11-18(17)20-4/h6-9,20H,2,5,10-13H2,1,3-4H3
InChIKeyOOLSLVUWQNPQNH-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.36
Rot. Bonds8

About 2-[N-ethyl-4-[2-(methylamino)cyclobuten-1-yl]anilino]ethyl 2-methylprop-2-enoate

2-[N-ethyl-4-[2-(methylamino)cyclobuten-1-yl]anilino]ethyl 2-methylprop-2-enoate (PubChem CID 151360943) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[N-ethyl-4-[2-(methylamino)cyclobuten-1-yl]anilino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[N-ethyl-4-[2-(methylamino)cyclobuten-1-yl]anilino]ethyl 2-methylprop-2-enoate
PubChem CID151360943
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-[N-ethyl-4-[2-(methylamino)cyclobuten-1-yl]anilino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(CC)c1ccc(C2=C(NC)CC2)cc1
InChIInChI=1S/C19H26N2O2/c1-5-21(12-13-23-19(22)14(2)3)16-8-6-15(7-9-16)17-10-11-18(17)20-4/h6-9,20H,2,5,10-13H2,1,3-4H3
InChIKeyOOLSLVUWQNPQNH-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(diethylamino)phenyl]ethyl 2-methylprop-2-enoate
CID 150471657
3-[N-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]propyl 2-methylprop-2-enoate
CID 144769323
2-[4-[[4-(2,2-dicyanoethenyl)phenyl]diazenyl]-N-ethylanilino]ethyl 2-methylprop-2-enoate
CID 101222672
2-[4-[(3-chloro-4-cyanophenyl)diazenyl]-N-ethylanilino]ethyl 2-methylprop-2-enoate
CID 102472654
2-[3-acetamido-4-amino-N-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]ethyl 2-methylprop-2-enoate
CID 134354679
2-(diethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161237625
2-[4-[1-benzothiophen-3-yl-[4-[ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]phenyl]methyl]-N-ethylanilino]ethyl 2,2-dimethylpropanoate
CID 158718840
1-[4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone
CID 61446564
[3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659271
2-[4-[4-(2-propanoyloxyethoxy)phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 163508715
3-[4-(dimethylamino)-N-methylanilino]propyl 2-methylprop-2-enoate
CID 102277470
2-[[4-[4-(N-phenylanilino)phenyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate
CID 59392192

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-[2-(methylamino)cyclobuten-1-yl]anilino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[N-ethyl-4-[2-(methylamino)cyclobuten-1-yl]anilino]ethyl 2-methylprop-2-enoate (CID 151360943) is 2-[N-ethyl-4-[2-(methylamino)cyclobuten-1-yl]anilino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[N-ethyl-4-[2-(methylamino)cyclobuten-1-yl]anilino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[N-ethyl-4-[2-(methylamino)cyclobuten-1-yl]anilino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(CC)c1ccc(C2=C(NC)CC2)cc1.
What is the InChIKey of 2-[N-ethyl-4-[2-(methylamino)cyclobuten-1-yl]anilino]ethyl 2-methylprop-2-enoate?
The InChIKey is OOLSLVUWQNPQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-5-21(12-13-23-19(22)14(2)3)16-8-6-15(7-9-16)17-10-11-18(17)20-4/h6-9,20H,2,5,10-13H2,1,3-4H3.
What are the key properties of 2-[N-ethyl-4-[2-(methylamino)cyclobuten-1-yl]anilino]ethyl 2-methylprop-2-enoate?
2-[N-ethyl-4-[2-(methylamino)cyclobuten-1-yl]anilino]ethyl 2-methylprop-2-enoate has a molecular weight of 314.43 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-[2-(methylamino)cyclobuten-1-yl]anilino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 151360943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).