2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(tert-butylcarbamoyl)acetamide

C13H20BrN3O3 — CID 37420375

IUPAC2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(tert-butylcarbamoyl)acetamide
SMILESCN(CC(=O)NC(=O)NC(C)(C)C)Cc1ccc(Br)o1
InChIInChI=1S/C13H20BrN3O3/c1-13(2,3)16-12(19)15-11(18)8-17(4)7-9-5-6-10(14)20-9/h5-6H,7-8H2,1-4H3,(H2,15,16,18,19)
InChIKeyLYAJIQMRKRRETF-UHFFFAOYSA-N
MW346.23 g/mol
LogP2.10
Rot. Bonds4

About 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(tert-butylcarbamoyl)acetamide

2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(tert-butylcarbamoyl)acetamide (PubChem CID 37420375) has the molecular formula C13H20BrN3O3 and a molecular weight of 346.23 g/mol. Its IUPAC name is 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(tert-butylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(tert-butylcarbamoyl)acetamide
PubChem CID37420375
Molecular FormulaC13H20BrN3O3
Molecular Weight346.23 g/mol
Exact Mass345.07
IUPAC Name2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(tert-butylcarbamoyl)acetamide
SMILESCN(CC(=O)NC(=O)NC(C)(C)C)Cc1ccc(Br)o1
InChIInChI=1S/C13H20BrN3O3/c1-13(2,3)16-12(19)15-11(18)8-17(4)7-9-5-6-10(14)20-9/h5-6H,7-8H2,1-4H3,(H2,15,16,18,19)
InChIKeyLYAJIQMRKRRETF-UHFFFAOYSA-N
XLogP2.10
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 37422554
N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 4818784
N-(tert-butylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028162
N-(2-bromophenyl)-2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 9252556
4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37212891
N-(tert-butylcarbamoyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2699241
N-(tert-butylcarbamoyl)-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60570477
methyl 2-[(5-bromofuran-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952646
3-[(5-bromofuran-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)propanamide
CID 37423353
N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide
CID 55319008
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2698454
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9303583

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(tert-butylcarbamoyl)acetamide?
The IUPAC name of 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(tert-butylcarbamoyl)acetamide (CID 37420375) is 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(tert-butylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(tert-butylcarbamoyl)acetamide?
The canonical SMILES for 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(tert-butylcarbamoyl)acetamide is CN(CC(=O)NC(=O)NC(C)(C)C)Cc1ccc(Br)o1.
What is the InChIKey of 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(tert-butylcarbamoyl)acetamide?
The InChIKey is LYAJIQMRKRRETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O3/c1-13(2,3)16-12(19)15-11(18)8-17(4)7-9-5-6-10(14)20-9/h5-6H,7-8H2,1-4H3,(H2,15,16,18,19).
What are the key properties of 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(tert-butylcarbamoyl)acetamide?
2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(tert-butylcarbamoyl)acetamide has a molecular weight of 346.23 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(tert-butylcarbamoyl)acetamide is sourced from PubChem (CID 37420375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).