2-bromo-3-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide

C10H19BrN2O2 — CID 43567046

IUPAC2-bromo-3-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide
SMILESCCCNC(=O)CNC(=O)C(Br)C(C)C
InChIInChI=1S/C10H19BrN2O2/c1-4-5-12-8(14)6-13-10(15)9(11)7(2)3/h7,9H,4-6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyFTQZFPGZMYLQOH-UHFFFAOYSA-N
MW279.18 g/mol
LogP1.05
Rot. Bonds6

About 2-bromo-3-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide

2-bromo-3-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide (PubChem CID 43567046) has the molecular formula C10H19BrN2O2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide
PubChem CID43567046
Molecular FormulaC10H19BrN2O2
Molecular Weight279.18 g/mol
Exact Mass278.06
IUPAC Name2-bromo-3-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide
SMILESCCCNC(=O)CNC(=O)C(Br)C(C)C
InChIInChI=1S/C10H19BrN2O2/c1-4-5-12-8(14)6-13-10(15)9(11)7(2)3/h7,9H,4-6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyFTQZFPGZMYLQOH-UHFFFAOYSA-N
XLogP1.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 43567045
3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 62729229
2-bromo-N-(3-butoxypropyl)-3-methylbutanamide
CID 115649429
2-(3-methylbutan-2-ylamino)-N-propylacetamide
CID 43086366
N-propyl-2-(propylcarbamoylamino)acetamide
CID 115571904
2-bromo-N-(2-ethylsulfanylethyl)-3-methylbutanamide
CID 82110735
(2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide
CID 82962524
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide
CID 79250505
2-iodo-N-propylpropanamide
CID 64787589
3,4-dimethyl-N-propylpentanamide
CID 89425193
2-bromo-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102904758
2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide
CID 106931868

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide?
The IUPAC name of 2-bromo-3-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide (CID 43567046) is 2-bromo-3-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide.
What is the SMILES notation for 2-bromo-3-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide?
The canonical SMILES for 2-bromo-3-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide is CCCNC(=O)CNC(=O)C(Br)C(C)C.
What is the InChIKey of 2-bromo-3-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide?
The InChIKey is FTQZFPGZMYLQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2O2/c1-4-5-12-8(14)6-13-10(15)9(11)7(2)3/h7,9H,4-6H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of 2-bromo-3-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide?
2-bromo-3-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide has a molecular weight of 279.18 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide is sourced from PubChem (CID 43567046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).