[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate

C17H17BrN2O5 — CID 7703284

IUPAC[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
SMILESCN(C)C(=O)[C@H](OC(=O)CNC(=O)c1ccc(Br)o1)c1ccccc1
InChIInChI=1S/C17H17BrN2O5/c1-20(2)17(23)15(11-6-4-3-5-7-11)25-14(21)10-19-16(22)12-8-9-13(18)24-12/h3-9,15H,10H2,1-2H3,(H,19,22)/t15-/m1/s1
InChIKeyUWMSWWSJUWLGSC-OAHLLOKOSA-N
MW409.24 g/mol
LogP2.14
Rot. Bonds6

About [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate (PubChem CID 7703284) has the molecular formula C17H17BrN2O5 and a molecular weight of 409.24 g/mol. Its IUPAC name is [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
PubChem CID7703284
Molecular FormulaC17H17BrN2O5
Molecular Weight409.24 g/mol
Exact Mass408.03
IUPAC Name[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
SMILESCN(C)C(=O)[C@H](OC(=O)CNC(=O)c1ccc(Br)o1)c1ccccc1
InChIInChI=1S/C17H17BrN2O5/c1-20(2)17(23)15(11-6-4-3-5-7-11)25-14(21)10-19-16(22)12-8-9-13(18)24-12/h3-9,15H,10H2,1-2H3,(H,19,22)/t15-/m1/s1
InChIKeyUWMSWWSJUWLGSC-OAHLLOKOSA-N
XLogP2.14
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5-bromofuran-2-carbonyl)amino]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-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 46824068
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 55390247
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7703332
5-bromo-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 8936906
5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide
CID 7964359
5-bromo-N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 42909926
benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899424
[(1S)-1-(4-fluorophenyl)ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899383
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate
CID 7698022
5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide
CID 26007657
5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide
CID 27862886
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7715777

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The IUPAC name of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate (CID 7703284) is [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate.
What is the SMILES notation for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The canonical SMILES for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate is CN(C)C(=O)[C@H](OC(=O)CNC(=O)c1ccc(Br)o1)c1ccccc1.
What is the InChIKey of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The InChIKey is UWMSWWSJUWLGSC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17BrN2O5/c1-20(2)17(23)15(11-6-4-3-5-7-11)25-14(21)10-19-16(22)12-8-9-13(18)24-12/h3-9,15H,10H2,1-2H3,(H,19,22)/t15-/m1/s1.
What are the key properties of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate has a molecular weight of 409.24 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate is sourced from PubChem (CID 7703284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).