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

C16H21BrN2O4 — CID 9342519

IUPAC[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESCCNC(=O)CN(CC)C(=O)COC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C16H21BrN2O4/c1-3-18-14(20)10-19(4-2)15(21)11-23-16(22)9-12-5-7-13(17)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyNDHAZPISDGFEAN-UHFFFAOYSA-N
MW385.26 g/mol
LogP1.52
Rot. Bonds8

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

[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate (PubChem CID 9342519) has the molecular formula C16H21BrN2O4 and a molecular weight of 385.26 g/mol. Its IUPAC name is [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate.

Molecular Properties

Compound Name[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
PubChem CID9342519
Molecular FormulaC16H21BrN2O4
Molecular Weight385.26 g/mol
Exact Mass384.07
IUPAC Name[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESCCNC(=O)CN(CC)C(=O)COC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C16H21BrN2O4/c1-3-18-14(20)10-19(4-2)15(21)11-23-16(22)9-12-5-7-13(17)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyNDHAZPISDGFEAN-UHFFFAOYSA-N
XLogP1.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[ethyl-[2-(ethylamino)-2-oxoethyl]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-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 55316083
ethyl N-[2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetyl]carbamate
CID 9208190
[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705225
[2-(diethylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 71820778
2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 27821749
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 8887243
2-(4-cyanophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 62404901
2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 78809159
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate
CID 9011208
2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide
CID 54939808
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-(4-bromophenyl)acetate
CID 9342541
2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetic acid
CID 54901024

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate?
The IUPAC name of [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate (CID 9342519) is [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate.
What is the SMILES notation for [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate?
The canonical SMILES for [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate is CCNC(=O)CN(CC)C(=O)COC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate?
The InChIKey is NDHAZPISDGFEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O4/c1-3-18-14(20)10-19(4-2)15(21)11-23-16(22)9-12-5-7-13(17)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,18,20).
What are the key properties of [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate?
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate has a molecular weight of 385.26 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate is sourced from PubChem (CID 9342519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).