3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide

C11H17BrN2O2 — CID 64676727

IUPAC3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide
SMILESCN(Cc1ccc(Br)o1)C(=O)CC(C)(C)N
InChIInChI=1S/C11H17BrN2O2/c1-11(2,13)6-10(15)14(3)7-8-4-5-9(12)16-8/h4-5H,6-7,13H2,1-3H3
InChIKeyQONBYKDJACBJIX-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.13
Rot. Bonds4

About 3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide

3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide (PubChem CID 64676727) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide
PubChem CID64676727
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide
SMILESCN(Cc1ccc(Br)o1)C(=O)CC(C)(C)N
InChIInChI=1S/C11H17BrN2O2/c1-11(2,13)6-10(15)14(3)7-8-4-5-9(12)16-8/h4-5H,6-7,13H2,1-3H3
InChIKeyQONBYKDJACBJIX-UHFFFAOYSA-N
XLogP2.13
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
3-[(5-bromofuran-2-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62232100
6-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,4-trimethylhexanamide
CID 65292328
N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide
CID 60949729
3-amino-N-benzyl-N,3-dimethylbutanamide
CID 64684536
N-[(5-bromofuran-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide
CID 71690397
3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685652
2-(4-aminopyrazol-1-yl)-N-[(5-bromofuran-2-yl)methyl]-N-methylacetamide
CID 61108813
3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide
CID 107980321
4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61109003
N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54873279
N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 71690396

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of 3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide (CID 64676727) is 3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for 3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for 3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide is CN(Cc1ccc(Br)o1)C(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide?
The InChIKey is QONBYKDJACBJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-11(2,13)6-10(15)14(3)7-8-4-5-9(12)16-8/h4-5H,6-7,13H2,1-3H3.
What are the key properties of 3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide?
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide has a molecular weight of 289.17 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 64676727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).