N-(2-bromo-2-cyclopropylethyl)-2-ethylbutanamide

C11H20BrNO — CID 114315794

IUPACN-(2-bromo-2-cyclopropylethyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(Br)C1CC1
InChIInChI=1S/C11H20BrNO/c1-3-8(4-2)11(14)13-7-10(12)9-5-6-9/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyODKZXDJLUHKNFW-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.71
Rot. Bonds6

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

N-(2-bromo-2-cyclopropylethyl)-2-ethylbutanamide (PubChem CID 114315794) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is N-(2-bromo-2-cyclopropylethyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(2-bromo-2-cyclopropylethyl)-2-ethylbutanamide
PubChem CID114315794
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC NameN-(2-bromo-2-cyclopropylethyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(Br)C1CC1
InChIInChI=1S/C11H20BrNO/c1-3-8(4-2)11(14)13-7-10(12)9-5-6-9/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyODKZXDJLUHKNFW-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylbutanamide
CID 63294520
N-(2-bromo-2-cyclopropylethyl)-2-methylsulfonylpropanamide
CID 104522432
N-(2-bromo-2-cyclopropylethyl)cyclopropanecarboxamide
CID 114315724
2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)butanamide
CID 65227956
N-(2-bromo-2-cyclopropylethyl)dodecanamide
CID 114315926
N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutanamide
CID 114315961
2-ethyl-N-[(2R)-2-hydroxypropyl]butanamide
CID 39236453
N-(2-bromo-2-cyclopropylethyl)-4-tert-butylbenzamide
CID 114315768
N-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide
CID 114315762
N-(2-bromo-2-cyclopropylethyl)-2-iodobenzamide
CID 114315773
N-(2-aminopropyl)-2-ethylbutanamide
CID 63732725
N-(2-aminopentyl)-2-ethylbutanamide
CID 115737781

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-cyclopropylethyl)-2-ethylbutanamide?
The IUPAC name of N-(2-bromo-2-cyclopropylethyl)-2-ethylbutanamide (CID 114315794) is N-(2-bromo-2-cyclopropylethyl)-2-ethylbutanamide.
What is the SMILES notation for N-(2-bromo-2-cyclopropylethyl)-2-ethylbutanamide?
The canonical SMILES for N-(2-bromo-2-cyclopropylethyl)-2-ethylbutanamide is CCC(CC)C(=O)NCC(Br)C1CC1.
What is the InChIKey of N-(2-bromo-2-cyclopropylethyl)-2-ethylbutanamide?
The InChIKey is ODKZXDJLUHKNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c1-3-8(4-2)11(14)13-7-10(12)9-5-6-9/h8-10H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-(2-bromo-2-cyclopropylethyl)-2-ethylbutanamide?
N-(2-bromo-2-cyclopropylethyl)-2-ethylbutanamide has a molecular weight of 262.19 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-cyclopropylethyl)-2-ethylbutanamide is sourced from PubChem (CID 114315794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).