3-bromo-N-[2-[3-bromopropanoyl(methyl)amino]ethyl]-N-methylpropanamide

C10H18Br2N2O2 — CID 142768224

IUPAC3-bromo-N-[2-[3-bromopropanoyl(methyl)amino]ethyl]-N-methylpropanamide
SMILESCN(CCN(C)C(=O)CCBr)C(=O)CCBr
InChIInChI=1S/C10H18Br2N2O2/c1-13(9(15)3-5-11)7-8-14(2)10(16)4-6-12/h3-8H2,1-2H3
InChIKeyABUQAGQITCYRCZ-UHFFFAOYSA-N
MW358.07 g/mol
LogP1.47
Rot. Bonds7

About 3-bromo-N-[2-[3-bromopropanoyl(methyl)amino]ethyl]-N-methylpropanamide

3-bromo-N-[2-[3-bromopropanoyl(methyl)amino]ethyl]-N-methylpropanamide (PubChem CID 142768224) has the molecular formula C10H18Br2N2O2 and a molecular weight of 358.07 g/mol. Its IUPAC name is 3-bromo-N-[2-[3-bromopropanoyl(methyl)amino]ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-bromo-N-[2-[3-bromopropanoyl(methyl)amino]ethyl]-N-methylpropanamide
PubChem CID142768224
Molecular FormulaC10H18Br2N2O2
Molecular Weight358.07 g/mol
Exact Mass355.97
IUPAC Name3-bromo-N-[2-[3-bromopropanoyl(methyl)amino]ethyl]-N-methylpropanamide
SMILESCN(CCN(C)C(=O)CCBr)C(=O)CCBr
InChIInChI=1S/C10H18Br2N2O2/c1-13(9(15)3-5-11)7-8-14(2)10(16)4-6-12/h3-8H2,1-2H3
InChIKeyABUQAGQITCYRCZ-UHFFFAOYSA-N
XLogP1.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.07
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107198834
N-(2-bromoethyl)-N-methylbutanamide
CID 80658424
5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide
CID 107910777
6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid
CID 63694639
N-(2-bromoethyl)-N-methyl-2-methylsulfonylacetamide
CID 80659141
N-(3-fluoropropyl)-N-methylbutanamide
CID 169103064
N-[2-(dimethylamino)ethyl]-4,4,4-trifluoro-N-methyl-3-oxobutanamide
CID 110479366
N-(3,3-dimethylbutyl)-N-methylbutanamide;ethane
CID 176686856
methyl 3-[(2-bromoacetyl)-methylamino]propanoate
CID 63679346
5-hydroxy-N-(3-hydroxypropyl)-N-methylpentanamide
CID 139993140
N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide
CID 80659443
N-methyl-N-octylheptacosanamide
CID 87394998

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[3-bromopropanoyl(methyl)amino]ethyl]-N-methylpropanamide?
The IUPAC name of 3-bromo-N-[2-[3-bromopropanoyl(methyl)amino]ethyl]-N-methylpropanamide (CID 142768224) is 3-bromo-N-[2-[3-bromopropanoyl(methyl)amino]ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-bromo-N-[2-[3-bromopropanoyl(methyl)amino]ethyl]-N-methylpropanamide?
The canonical SMILES for 3-bromo-N-[2-[3-bromopropanoyl(methyl)amino]ethyl]-N-methylpropanamide is CN(CCN(C)C(=O)CCBr)C(=O)CCBr.
What is the InChIKey of 3-bromo-N-[2-[3-bromopropanoyl(methyl)amino]ethyl]-N-methylpropanamide?
The InChIKey is ABUQAGQITCYRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Br2N2O2/c1-13(9(15)3-5-11)7-8-14(2)10(16)4-6-12/h3-8H2,1-2H3.
What are the key properties of 3-bromo-N-[2-[3-bromopropanoyl(methyl)amino]ethyl]-N-methylpropanamide?
3-bromo-N-[2-[3-bromopropanoyl(methyl)amino]ethyl]-N-methylpropanamide has a molecular weight of 358.07 g/mol, XLogP of 1.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[3-bromopropanoyl(methyl)amino]ethyl]-N-methylpropanamide is sourced from PubChem (CID 142768224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).