[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate

C16H20BrNO3 — CID 55316083

IUPAC[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESC=C(C)CN(CC)C(=O)COC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C16H20BrNO3/c1-4-18(10-12(2)3)15(19)11-21-16(20)9-13-5-7-14(17)8-6-13/h5-8H,2,4,9-11H2,1,3H3
InChIKeyAWLHBGYSOULWKV-UHFFFAOYSA-N
MW354.24 g/mol
LogP2.96
Rot. Bonds7

About [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate

[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate (PubChem CID 55316083) has the molecular formula C16H20BrNO3 and a molecular weight of 354.24 g/mol. Its IUPAC name is [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate.

Molecular Properties

Compound Name[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
PubChem CID55316083
Molecular FormulaC16H20BrNO3
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC Name[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESC=C(C)CN(CC)C(=O)COC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C16H20BrNO3/c1-4-18(10-12(2)3)15(19)11-21-16(20)9-13-5-7-14(17)8-6-13/h5-8H,2,4,9-11H2,1,3H3
InChIKeyAWLHBGYSOULWKV-UHFFFAOYSA-N
XLogP2.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate 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

[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 9342519
[2-(diethylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 71820778
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 55315118
2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetic acid
CID 54901024
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 55313966
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55328075
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 4832074
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] benzoate
CID 55319893
ethyl N-[2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetyl]carbamate
CID 9208190
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 55317010
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-[2-(4-bromoanilino)-2-oxoethoxy]benzoate
CID 35950064
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 4-tert-butylbenzoate
CID 55318805

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate?
The IUPAC name of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate (CID 55316083) is [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate.
What is the SMILES notation for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate?
The canonical SMILES for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate is C=C(C)CN(CC)C(=O)COC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate?
The InChIKey is AWLHBGYSOULWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO3/c1-4-18(10-12(2)3)15(19)11-21-16(20)9-13-5-7-14(17)8-6-13/h5-8H,2,4,9-11H2,1,3H3.
What are the key properties of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate?
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate has a molecular weight of 354.24 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate is sourced from PubChem (CID 55316083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).