N-bromo-2-(dimethylamino)acetamide

C4H9BrN2O — CID 151832234

IUPACN-bromo-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NBr
InChIInChI=1S/C4H9BrN2O/c1-7(2)3-4(8)6-5/h3H2,1-2H3,(H,6,8)
InChIKeySEXAJXZKQPYURX-UHFFFAOYSA-N
MW181.03 g/mol
LogP-0.03
Rot. Bonds2

About N-bromo-2-(dimethylamino)acetamide

N-bromo-2-(dimethylamino)acetamide (PubChem CID 151832234) has the molecular formula C4H9BrN2O and a molecular weight of 181.03 g/mol. Its IUPAC name is N-bromo-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-bromo-2-(dimethylamino)acetamide
PubChem CID151832234
Molecular FormulaC4H9BrN2O
Molecular Weight181.03 g/mol
Exact Mass179.99
IUPAC NameN-bromo-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NBr
InChIInChI=1S/C4H9BrN2O/c1-7(2)3-4(8)6-5/h3H2,1-2H3,(H,6,8)
InChIKeySEXAJXZKQPYURX-UHFFFAOYSA-N
XLogP-0.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.03
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-(Trimethylazaniumyl)ethanimidate--hydrogen chloride (1/1)
CID 27986
2-(Dimethylamino)acetamide
CID 230116
2-(Diethylamino)acetamide
CID 139014
2-Amino-N,N,N-trimethyl-2-oxoethanaminium
CID 27987
N,N,N-Triethyl, 2-hydroxyamino-2-oxo-ethylammonium bromide-
CID 171383905
(2-Amino-2-oxoethyl)-triethylazanium
CID 57003135
(N,N-dimethylamino-dimethylaminomethyl) formamide
CID 129805767
2-[Ethyl(methyl)amino]acetamide
CID 11007870
2-[Fluoromethyl(methyl)amino]acetamide
CID 117656497
2-[Ethyl(2-fluoroethyl)amino]acetamide
CID 127007626
N,N~2~,N~2~-Trimethylglycinamide
CID 13601883
2,2'-(Methylazanediyl)diacetamide
CID 14799296

Frequently Asked Questions

What is the IUPAC name of N-bromo-2-(dimethylamino)acetamide?
The IUPAC name of N-bromo-2-(dimethylamino)acetamide (CID 151832234) is N-bromo-2-(dimethylamino)acetamide.
What is the SMILES notation for N-bromo-2-(dimethylamino)acetamide?
The canonical SMILES for N-bromo-2-(dimethylamino)acetamide is CN(C)CC(=O)NBr.
What is the InChIKey of N-bromo-2-(dimethylamino)acetamide?
The InChIKey is SEXAJXZKQPYURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BrN2O/c1-7(2)3-4(8)6-5/h3H2,1-2H3,(H,6,8).
What are the key properties of N-bromo-2-(dimethylamino)acetamide?
N-bromo-2-(dimethylamino)acetamide has a molecular weight of 181.03 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-2-(dimethylamino)acetamide is sourced from PubChem (CID 151832234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).