2-bromo-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide

C10H19BrN2O2 — CID 82109644

IUPAC2-bromo-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide
SMILESCC(C)CNC(=O)CNC(=O)C(C)(C)Br
InChIInChI=1S/C10H19BrN2O2/c1-7(2)5-12-8(14)6-13-9(15)10(3,4)11/h7H,5-6H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyONAUMWKUYGRGTB-UHFFFAOYSA-N
MW279.18 g/mol
LogP1.05
Rot. Bonds5

About 2-bromo-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide

2-bromo-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide (PubChem CID 82109644) has the molecular formula C10H19BrN2O2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide
PubChem CID82109644
Molecular FormulaC10H19BrN2O2
Molecular Weight279.18 g/mol
Exact Mass278.06
IUPAC Name2-bromo-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide
SMILESCC(C)CNC(=O)CNC(=O)C(C)(C)Br
InChIInChI=1S/C10H19BrN2O2/c1-7(2)5-12-8(14)6-13-9(15)10(3,4)11/h7H,5-6H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyONAUMWKUYGRGTB-UHFFFAOYSA-N
XLogP1.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[2-[(3-methyl-2-propan-2-ylbutyl)amino]-2-oxoethyl]propanamide
CID 102914880
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]butanamide
CID 25171160
2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide
CID 28571980
N-[2-[[(2R)-2-hydroxy-3-methylbutyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 97078266
2-bromo-N-(2,2-difluoroethyl)-2-methylpropanamide
CID 114328988
2-bromo-2-methyl-N-(2-methylsulfanylpropyl)propanamide
CID 114329138
2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide
CID 86786946
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
2-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-(2-methylpropyl)acetamide
CID 114493558
5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]furan-3-carboxylic acid
CID 104607855
N-(2-methylpropyl)-2-(2-propan-2-ylanilino)acetamide
CID 28573972
2-(2,6-dimethylanilino)-N-[2-(2-methylpropylamino)-2-oxoethyl]acetamide
CID 71998712

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide?
The IUPAC name of 2-bromo-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide (CID 82109644) is 2-bromo-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide is CC(C)CNC(=O)CNC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide?
The InChIKey is ONAUMWKUYGRGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2O2/c1-7(2)5-12-8(14)6-13-9(15)10(3,4)11/h7H,5-6H2,1-4H3,(H,12,14)(H,13,15).
What are the key properties of 2-bromo-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide?
2-bromo-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide has a molecular weight of 279.18 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 82109644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).