3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide

C13H18BrN3O3 — CID 106112171

IUPAC3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)N(CC(N)=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H18BrN3O3/c1-20-11(6-15)13(19)17(8-12(16)18)7-9-2-4-10(14)5-3-9/h2-5,11H,6-8,15H2,1H3,(H2,16,18)
InChIKeyHWUDKJLCRYZZEX-UHFFFAOYSA-N
MW344.21 g/mol
LogP0.24
Rot. Bonds7

About 3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide

3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide (PubChem CID 106112171) has the molecular formula C13H18BrN3O3 and a molecular weight of 344.21 g/mol. Its IUPAC name is 3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide
PubChem CID106112171
Molecular FormulaC13H18BrN3O3
Molecular Weight344.21 g/mol
Exact Mass343.05
IUPAC Name3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)N(CC(N)=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H18BrN3O3/c1-20-11(6-15)13(19)17(8-12(16)18)7-9-2-4-10(14)5-3-9/h2-5,11H,6-8,15H2,1H3,(H2,16,18)
InChIKeyHWUDKJLCRYZZEX-UHFFFAOYSA-N
XLogP0.24
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide 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-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide
CID 47374439
2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-methylpentanamide
CID 60963304
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79201773
2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide
CID 61264658
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60963762
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)butanamide
CID 62837088
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide
CID 60912130
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)propanamide
CID 62835708
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111912
(2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(4-bromophenyl)methyl]-N-methylpropanamide
CID 94453902
3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide
CID 106111947
3-amino-N-[(4-cyanophenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106112028

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide (CID 106112171) is 3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide is COC(CN)C(=O)N(CC(N)=O)Cc1ccc(Br)cc1.
What is the InChIKey of 3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide?
The InChIKey is HWUDKJLCRYZZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O3/c1-20-11(6-15)13(19)17(8-12(16)18)7-9-2-4-10(14)5-3-9/h2-5,11H,6-8,15H2,1H3,(H2,16,18).
What are the key properties of 3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide?
3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide has a molecular weight of 344.21 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide is sourced from PubChem (CID 106112171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).