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

C9H15BrN2O3 — CID 53405310

IUPACN-(acetylcarbamoyl)-N-bromo-2-ethylbutanamide
SMILESCCC(CC)C(=O)N(Br)C(=O)NC(C)=O
InChIInChI=1S/C9H15BrN2O3/c1-4-7(5-2)8(14)12(10)9(15)11-6(3)13/h7H,4-5H2,1-3H3,(H,11,13,15)
InChIKeyXZLXHBUUYVMFQM-UHFFFAOYSA-N
MW279.13 g/mol
LogP1.82
Rot. Bonds3

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

N-(acetylcarbamoyl)-N-bromo-2-ethylbutanamide (PubChem CID 53405310) has the molecular formula C9H15BrN2O3 and a molecular weight of 279.13 g/mol. Its IUPAC name is N-(acetylcarbamoyl)-N-bromo-2-ethylbutanamide.

Molecular Properties

Compound NameN-(acetylcarbamoyl)-N-bromo-2-ethylbutanamide
PubChem CID53405310
Molecular FormulaC9H15BrN2O3
Molecular Weight279.13 g/mol
Exact Mass278.03
IUPAC NameN-(acetylcarbamoyl)-N-bromo-2-ethylbutanamide
SMILESCCC(CC)C(=O)N(Br)C(=O)NC(C)=O
InChIInChI=1S/C9H15BrN2O3/c1-4-7(5-2)8(14)12(10)9(15)11-6(3)13/h7H,4-5H2,1-3H3,(H,11,13,15)
InChIKeyXZLXHBUUYVMFQM-UHFFFAOYSA-N
XLogP1.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acecarbromal
CID 6489
N-(Aminocarbonyl)-2-ethylbutanamide
CID 16768
2-Isopropyl-3-methylbutanoyl UreaE
CID 24740768
(3-Methylbutyryl)urea
CID 568317
N-(Carbamoylcarbamoyl)-2-ethyl-butanamide
CID 339458
1-(2-Methylbutyryl)urea
CID 3032145
Butanamide, 2-ethyl-N-[[[(methylamino)carbonyl]amino]carbonyl]-
CID 567308
Bromdiathylacetylharnstoff
CID 53411154
Bromisovalerylharnstoff
CID 87368254
Bisbromdiathylacetylharnstoff
CID 129641187
2-ethyl-N-(methylcarbamoyl)butanamide
CID 237696
N-(acetylcarbamoyl)-2-ethylbutanamide
CID 240720

Frequently Asked Questions

What is the IUPAC name of N-(acetylcarbamoyl)-N-bromo-2-ethylbutanamide?
The IUPAC name of N-(acetylcarbamoyl)-N-bromo-2-ethylbutanamide (CID 53405310) is N-(acetylcarbamoyl)-N-bromo-2-ethylbutanamide.
What is the SMILES notation for N-(acetylcarbamoyl)-N-bromo-2-ethylbutanamide?
The canonical SMILES for N-(acetylcarbamoyl)-N-bromo-2-ethylbutanamide is CCC(CC)C(=O)N(Br)C(=O)NC(C)=O.
What is the InChIKey of N-(acetylcarbamoyl)-N-bromo-2-ethylbutanamide?
The InChIKey is XZLXHBUUYVMFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O3/c1-4-7(5-2)8(14)12(10)9(15)11-6(3)13/h7H,4-5H2,1-3H3,(H,11,13,15).
What are the key properties of N-(acetylcarbamoyl)-N-bromo-2-ethylbutanamide?
N-(acetylcarbamoyl)-N-bromo-2-ethylbutanamide has a molecular weight of 279.13 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(acetylcarbamoyl)-N-bromo-2-ethylbutanamide is sourced from PubChem (CID 53405310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).