N-(acetylcarbamoyl)-2-bromo-2-ethylbutanamide

C9H15BrN2O3 — CID 6489

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IUPACN-(acetylcarbamoyl)-2-bromo-2-ethylbutanamide
SMILESCCC(Br)(CC)C(=O)NC(=O)NC(C)=O
InChIInChI=1S/C9H15BrN2O3/c1-4-9(10,5-2)7(14)12-8(15)11-6(3)13/h4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKeySAZUGELZHZOXHB-UHFFFAOYSA-N
MW279.13 g/mol
LogP1.31
Rot. Bonds3

About N-(acetylcarbamoyl)-2-bromo-2-ethylbutanamide

N-(acetylcarbamoyl)-2-bromo-2-ethylbutanamide (PubChem CID 6489) has the molecular formula C9H15BrN2O3 and a molecular weight of 279.13 g/mol. Its IUPAC name is N-(acetylcarbamoyl)-2-bromo-2-ethylbutanamide.

Molecular Properties

Compound NameN-(acetylcarbamoyl)-2-bromo-2-ethylbutanamide
PubChem CID6489
Molecular FormulaC9H15BrN2O3
Molecular Weight279.13 g/mol
Exact Mass278.03
IUPAC NameN-(acetylcarbamoyl)-2-bromo-2-ethylbutanamide
SMILESCCC(Br)(CC)C(=O)NC(=O)NC(C)=O
InChIInChI=1S/C9H15BrN2O3/c1-4-9(10,5-2)7(14)12-8(15)11-6(3)13/h4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKeySAZUGELZHZOXHB-UHFFFAOYSA-N
XLogP1.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bromovalerylurea
CID 2447
Hoggar
CID 6488
N-(Carbamoylcarbamoyl)-2-ethyl-butanamide
CID 339458
(R)-2-bromoisovalerylurea
CID 146955
Tenebral
CID 44152834
Bromisoval, (S)-
CID 735997
1-(2-Bromobutyryl)urea
CID 541919
2-Bromo-n-carbamoyl-3,3-dimethylbutanamide
CID 245594
2-Bromo-2-methylbutyryl urea
CID 85656815
2-bromo-N-carbamoyl-3-ethylpentanamide
CID 4558676
Acetylbromodiethylacetylurea
CID 53405310
2-bromo-N-carbamoyl-2-ethylbutanamide;cyclohexane
CID 66994203

Frequently Asked Questions

What is the IUPAC name of N-(acetylcarbamoyl)-2-bromo-2-ethylbutanamide?
The IUPAC name of N-(acetylcarbamoyl)-2-bromo-2-ethylbutanamide (CID 6489) is N-(acetylcarbamoyl)-2-bromo-2-ethylbutanamide.
What is the SMILES notation for N-(acetylcarbamoyl)-2-bromo-2-ethylbutanamide?
The canonical SMILES for N-(acetylcarbamoyl)-2-bromo-2-ethylbutanamide is CCC(Br)(CC)C(=O)NC(=O)NC(C)=O.
What is the InChIKey of N-(acetylcarbamoyl)-2-bromo-2-ethylbutanamide?
The InChIKey is SAZUGELZHZOXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O3/c1-4-9(10,5-2)7(14)12-8(15)11-6(3)13/h4-5H2,1-3H3,(H2,11,12,13,14,15).
What are the key properties of N-(acetylcarbamoyl)-2-bromo-2-ethylbutanamide?
N-(acetylcarbamoyl)-2-bromo-2-ethylbutanamide has a molecular weight of 279.13 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(acetylcarbamoyl)-2-bromo-2-ethylbutanamide is sourced from PubChem (CID 6489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).