2-bromo-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide

C12H22BrNO2 — CID 61435299

IUPAC2-bromo-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
SMILESCCN(CC1CCCO1)C(=O)C(Br)C(C)C
InChIInChI=1S/C12H22BrNO2/c1-4-14(8-10-6-5-7-16-10)12(15)11(13)9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyQEBXRDLZAXEICA-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.43
Rot. Bonds5

About 2-bromo-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide

2-bromo-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 61435299) has the molecular formula C12H22BrNO2 and a molecular weight of 292.22 g/mol. Its IUPAC name is 2-bromo-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
PubChem CID61435299
Molecular FormulaC12H22BrNO2
Molecular Weight292.22 g/mol
Exact Mass291.08
IUPAC Name2-bromo-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
SMILESCCN(CC1CCCO1)C(=O)C(Br)C(C)C
InChIInChI=1S/C12H22BrNO2/c1-4-14(8-10-6-5-7-16-10)12(15)11(13)9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyQEBXRDLZAXEICA-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62638434
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61435057
(2R)-2-amino-N-ethyl-3,3-dimethyl-N-(oxolan-2-ylmethyl)butanamide
CID 103929712
N-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylpropanamide
CID 61435034
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 61435349
N-ethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 115590777
N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
CID 62727320
3-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61438951
3-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119750532
N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide
CID 107024574
3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 115590775
2-[butan-2-yl-[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61439234

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 2-bromo-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide (CID 61435299) is 2-bromo-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 2-bromo-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 2-bromo-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide is CCN(CC1CCCO1)C(=O)C(Br)C(C)C.
What is the InChIKey of 2-bromo-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is QEBXRDLZAXEICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2/c1-4-14(8-10-6-5-7-16-10)12(15)11(13)9(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-bromo-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
2-bromo-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 292.22 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 61435299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).