2-bromo-N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-methylbutanamide

C10H19BrN2O2 — CID 43578902

IUPAC2-bromo-N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
SMILESCC(NC(=O)C(Br)C(C)C)C(=O)N(C)C
InChIInChI=1S/C10H19BrN2O2/c1-6(2)8(11)9(14)12-7(3)10(15)13(4)5/h6-8H,1-5H3,(H,12,14)
InChIKeyHLCFDGMGRNGYQJ-UHFFFAOYSA-N
MW279.18 g/mol
LogP1.00
Rot. Bonds4

About 2-bromo-N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-methylbutanamide

2-bromo-N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-methylbutanamide (PubChem CID 43578902) has the molecular formula C10H19BrN2O2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 2-bromo-N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
PubChem CID43578902
Molecular FormulaC10H19BrN2O2
Molecular Weight279.18 g/mol
Exact Mass278.06
IUPAC Name2-bromo-N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
SMILESCC(NC(=O)C(Br)C(C)C)C(=O)N(C)C
InChIInChI=1S/C10H19BrN2O2/c1-6(2)8(11)9(14)12-7(3)10(15)13(4)5/h6-8H,1-5H3,(H,12,14)
InChIKeyHLCFDGMGRNGYQJ-UHFFFAOYSA-N
XLogP1.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 51.00
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

N-(Carbamoylmethyl)-2-acetamido-3-methylbutanamide
CID 644829
US8722896, N-[(2S)-2-Aminopropanoyl]-(2S)-valylamide
CID 58080388
L-alanyl-L-valinamide
CID 7019981
(2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
CID 10537384
(2S)-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]butanamide
CID 9965113
(2S)-2-[(4R)-4-(bromomethyl)-2-oxopyrrolidin-1-yl]butanamide
CID 11277035
US8722896, N-[(2S)-2-Aminopropanoyl]-(2R)-valylamide
CID 58080472
2-bromo-N-(butan-2-yl)-3-methylbutanamide
CID 24692066
(2s)-1-{[(2s)-1-Amino-3-Methyl-1-Oxobutan-2-Yl]amino}-1-Oxopropan-2-Aminium
CID 7019980
(2S)-2-acetamido-N-(3-bromopropyl)-3-methylbutanamide
CID 165430637
(2R)-2-acetamido-N-(3-bromoprop-2-ynyl)-3-methylbutanamide
CID 165430643
N-bromoacetyl-l-valine-t-butyl-amide
CID 102378001

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-methylbutanamide?
The IUPAC name of 2-bromo-N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-methylbutanamide (CID 43578902) is 2-bromo-N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-methylbutanamide is CC(NC(=O)C(Br)C(C)C)C(=O)N(C)C.
What is the InChIKey of 2-bromo-N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-methylbutanamide?
The InChIKey is HLCFDGMGRNGYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2O2/c1-6(2)8(11)9(14)12-7(3)10(15)13(4)5/h6-8H,1-5H3,(H,12,14).
What are the key properties of 2-bromo-N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-methylbutanamide?
2-bromo-N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-methylbutanamide has a molecular weight of 279.18 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 43578902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).