2-bromo-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]propanamide

C9H17BrN2O2 — CID 106915052

IUPAC2-bromo-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]propanamide
SMILESCNC(=O)CCN(C)C(=O)C(C)(C)Br
InChIInChI=1S/C9H17BrN2O2/c1-9(2,10)8(14)12(4)6-5-7(13)11-3/h5-6H2,1-4H3,(H,11,13)
InChIKeyCJAXAXBLQUFFQP-UHFFFAOYSA-N
MW265.15 g/mol
LogP0.75
Rot. Bonds4

About 2-bromo-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]propanamide

2-bromo-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]propanamide (PubChem CID 106915052) has the molecular formula C9H17BrN2O2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 2-bromo-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]propanamide.

Molecular Properties

Compound Name2-bromo-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]propanamide
PubChem CID106915052
Molecular FormulaC9H17BrN2O2
Molecular Weight265.15 g/mol
Exact Mass264.05
IUPAC Name2-bromo-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]propanamide
SMILESCNC(=O)CCN(C)C(=O)C(C)(C)Br
InChIInChI=1S/C9H17BrN2O2/c1-9(2,10)8(14)12(4)6-5-7(13)11-3/h5-6H2,1-4H3,(H,11,13)
InChIKeyCJAXAXBLQUFFQP-UHFFFAOYSA-N
XLogP0.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N,2-dimethyl-N-(2-methylsulfanylethyl)propanamide
CID 114329068
4-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 56900068
2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 106914932
2-hydroxyethyl N-methyl-N-[3-(methylamino)-3-oxopropyl]carbamate
CID 106918325
2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 114328087
4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 106813309
3-[2-aminoethyl(methyl)amino]-N-methylpropanamide
CID 58105370
4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103820438
4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 113339013
N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106916885
3-(4-aminocyclohexyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 106918215
2-bromo-5-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 113363621

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]propanamide?
The IUPAC name of 2-bromo-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]propanamide (CID 106915052) is 2-bromo-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]propanamide.
What is the SMILES notation for 2-bromo-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]propanamide?
The canonical SMILES for 2-bromo-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]propanamide is CNC(=O)CCN(C)C(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]propanamide?
The InChIKey is CJAXAXBLQUFFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrN2O2/c1-9(2,10)8(14)12(4)6-5-7(13)11-3/h5-6H2,1-4H3,(H,11,13).
What are the key properties of 2-bromo-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]propanamide?
2-bromo-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]propanamide has a molecular weight of 265.15 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]propanamide is sourced from PubChem (CID 106915052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).