N-(4-bromo-2-methylbutyl)-2-cyclopropylpropanamide

C11H20BrNO — CID 83151244

IUPACN-(4-bromo-2-methylbutyl)-2-cyclopropylpropanamide
SMILESCC(CCBr)CNC(=O)C(C)C1CC1
InChIInChI=1S/C11H20BrNO/c1-8(5-6-12)7-13-11(14)9(2)10-3-4-10/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyHIDZDANTAYYZBW-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.57
Rot. Bonds6

About N-(4-bromo-2-methylbutyl)-2-cyclopropylpropanamide

N-(4-bromo-2-methylbutyl)-2-cyclopropylpropanamide (PubChem CID 83151244) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is N-(4-bromo-2-methylbutyl)-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylbutyl)-2-cyclopropylpropanamide
PubChem CID83151244
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC NameN-(4-bromo-2-methylbutyl)-2-cyclopropylpropanamide
SMILESCC(CCBr)CNC(=O)C(C)C1CC1
InChIInChI=1S/C11H20BrNO/c1-8(5-6-12)7-13-11(14)9(2)10-3-4-10/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyHIDZDANTAYYZBW-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
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-bromoethyl)-2-cyclopropylpropanamide
CID 83154146
N-(4-bromo-2-methylbutyl)cyclopentanecarboxamide
CID 114316713
N-(4-chloropentyl)-2-cyclopropylpropanamide
CID 106129419
3-(2-cyclopropylpropanoylamino)-2-hydroxypropanamide
CID 106164214
N-(2-amino-3-hydroxybutyl)-2-cyclopropylpropanamide
CID 83148940
2-cyclopropyl-N-(3-hydroxypropyl)propanamide
CID 81449535
N-(2-amino-2-oxoethyl)-2-cyclopropylpropanamide
CID 79505889
2-cyclopropyl-N-(2-methylprop-2-enyl)propanamide
CID 114619048
3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid
CID 106107430
2-cyclopropyl-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
CID 103722198
4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid
CID 103153368
2-cyclopropyl-N-[2-(propylamino)ethyl]propanamide
CID 115563513

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylbutyl)-2-cyclopropylpropanamide?
The IUPAC name of N-(4-bromo-2-methylbutyl)-2-cyclopropylpropanamide (CID 83151244) is N-(4-bromo-2-methylbutyl)-2-cyclopropylpropanamide.
What is the SMILES notation for N-(4-bromo-2-methylbutyl)-2-cyclopropylpropanamide?
The canonical SMILES for N-(4-bromo-2-methylbutyl)-2-cyclopropylpropanamide is CC(CCBr)CNC(=O)C(C)C1CC1.
What is the InChIKey of N-(4-bromo-2-methylbutyl)-2-cyclopropylpropanamide?
The InChIKey is HIDZDANTAYYZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c1-8(5-6-12)7-13-11(14)9(2)10-3-4-10/h8-10H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-(4-bromo-2-methylbutyl)-2-cyclopropylpropanamide?
N-(4-bromo-2-methylbutyl)-2-cyclopropylpropanamide has a molecular weight of 262.19 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylbutyl)-2-cyclopropylpropanamide is sourced from PubChem (CID 83151244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).