N-[(3-bromocyclobutyl)methyl]-N,2,2-trimethylpropanamide

C11H20BrNO — CID 80675907

IUPACN-[(3-bromocyclobutyl)methyl]-N,2,2-trimethylpropanamide
SMILESCN(CC1CC(Br)C1)C(=O)C(C)(C)C
InChIInChI=1S/C11H20BrNO/c1-11(2,3)10(14)13(4)7-8-5-9(12)6-8/h8-9H,5-7H2,1-4H3
InChIKeyBHPMVQVUNIXKBU-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.66
Rot. Bonds2

About N-[(3-bromocyclobutyl)methyl]-N,2,2-trimethylpropanamide

N-[(3-bromocyclobutyl)methyl]-N,2,2-trimethylpropanamide (PubChem CID 80675907) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is N-[(3-bromocyclobutyl)methyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[(3-bromocyclobutyl)methyl]-N,2,2-trimethylpropanamide
PubChem CID80675907
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC NameN-[(3-bromocyclobutyl)methyl]-N,2,2-trimethylpropanamide
SMILESCN(CC1CC(Br)C1)C(=O)C(C)(C)C
InChIInChI=1S/C11H20BrNO/c1-11(2,3)10(14)13(4)7-8-5-9(12)6-8/h8-9H,5-7H2,1-4H3
InChIKeyBHPMVQVUNIXKBU-UHFFFAOYSA-N
XLogP2.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3-bromocyclobutyl)methyl]-N,2,2-trimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethylpropanamide
CID 103430165
N-[(3-bromocyclobutyl)methyl]-N,1-dimethylcyclopentane-1-carboxamide
CID 80672586
2-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethylbutanamide
CID 114290798
N-[(3-bromocyclobutyl)methyl]-1-ethyl-N-methylcyclopentane-1-carboxamide
CID 80672991
N-[(3-bromocyclobutyl)methyl]-N,2,4,6-tetramethylbenzamide
CID 80672182
2-amino-N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethylbutanamide
CID 79811820
N-[(3-bromocyclobutyl)methyl]-2,4,6-trifluoro-N-methylbenzamide
CID 80672919
N-[(3-bromocyclobutyl)methyl]-N,2,2-trimethylpropane-1-sulfonamide
CID 80674564
N-[(3-bromocyclobutyl)methyl]-N-methyl-3-phenylpropanamide
CID 80672512
4-bromo-N-[(3-bromocyclobutyl)methyl]-2,6-difluoro-N-methylbenzamide
CID 80672305
2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide
CID 81117729
N-[(3-bromocyclobutyl)methyl]-N-methyl-3-(2-methylphenyl)propanamide
CID 80672869

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclobutyl)methyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[(3-bromocyclobutyl)methyl]-N,2,2-trimethylpropanamide (CID 80675907) is N-[(3-bromocyclobutyl)methyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[(3-bromocyclobutyl)methyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[(3-bromocyclobutyl)methyl]-N,2,2-trimethylpropanamide is CN(CC1CC(Br)C1)C(=O)C(C)(C)C.
What is the InChIKey of N-[(3-bromocyclobutyl)methyl]-N,2,2-trimethylpropanamide?
The InChIKey is BHPMVQVUNIXKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c1-11(2,3)10(14)13(4)7-8-5-9(12)6-8/h8-9H,5-7H2,1-4H3.
What are the key properties of N-[(3-bromocyclobutyl)methyl]-N,2,2-trimethylpropanamide?
N-[(3-bromocyclobutyl)methyl]-N,2,2-trimethylpropanamide has a molecular weight of 262.19 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclobutyl)methyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 80675907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).