2-bromo-3,3-dimethyl-N-(1-phenylcyclobutyl)butanamide

C16H22BrNO — CID 12760544

IUPAC2-bromo-3,3-dimethyl-N-(1-phenylcyclobutyl)butanamide
SMILESCC(C)(C)C(Br)C(=O)NC1(c2ccccc2)CCC1
InChIInChI=1S/C16H22BrNO/c1-15(2,3)13(17)14(19)18-16(10-7-11-16)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3,(H,18,19)
InChIKeyAIRXWGYMSMGEQX-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.99
Rot. Bonds3

About 2-bromo-3,3-dimethyl-N-(1-phenylcyclobutyl)butanamide

2-bromo-3,3-dimethyl-N-(1-phenylcyclobutyl)butanamide (PubChem CID 12760544) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 2-bromo-3,3-dimethyl-N-(1-phenylcyclobutyl)butanamide.

Molecular Properties

Compound Name2-bromo-3,3-dimethyl-N-(1-phenylcyclobutyl)butanamide
PubChem CID12760544
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name2-bromo-3,3-dimethyl-N-(1-phenylcyclobutyl)butanamide
SMILESCC(C)(C)C(Br)C(=O)NC1(c2ccccc2)CCC1
InChIInChI=1S/C16H22BrNO/c1-15(2,3)13(17)14(19)18-16(10-7-11-16)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3,(H,18,19)
InChIKeyAIRXWGYMSMGEQX-UHFFFAOYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-3,3-dimethyl-N-(1-phenylcyclobutyl)butanamide 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

(2R)-2-amino-N-(1-phenylcyclobutyl)propanamide
CID 119275385
2-hydroxy-2-phenyl-N-(1-phenylcyclobutyl)acetamide
CID 110883240
2-methyl-3-(methylamino)-N-(1-phenylcyclobutyl)propanamide;hydrochloride
CID 119697180
2-amino-3-hydroxy-N-(1-phenylcyclobutyl)propanamide
CID 110480688
(E)-N-(1-phenylcyclobutyl)but-2-enamide
CID 110478044
1-methyl-1-phenyl-3-(1-phenylcyclobutyl)urea
CID 110469555
1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea
CID 113216919
2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid
CID 110490888
[1-[4-(2-bromo-2-phenylacetyl)phenyl]cyclobutyl]carbamic acid
CID 87096157
2-ethoxy-N-(1-phenylcyclobutyl)acetamide
CID 52571502
4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide
CID 51273167
5-bromo-N-(1-phenylcyclobutyl)furan-2-carboxamide
CID 51273024

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,3-dimethyl-N-(1-phenylcyclobutyl)butanamide?
The IUPAC name of 2-bromo-3,3-dimethyl-N-(1-phenylcyclobutyl)butanamide (CID 12760544) is 2-bromo-3,3-dimethyl-N-(1-phenylcyclobutyl)butanamide.
What is the SMILES notation for 2-bromo-3,3-dimethyl-N-(1-phenylcyclobutyl)butanamide?
The canonical SMILES for 2-bromo-3,3-dimethyl-N-(1-phenylcyclobutyl)butanamide is CC(C)(C)C(Br)C(=O)NC1(c2ccccc2)CCC1.
What is the InChIKey of 2-bromo-3,3-dimethyl-N-(1-phenylcyclobutyl)butanamide?
The InChIKey is AIRXWGYMSMGEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-15(2,3)13(17)14(19)18-16(10-7-11-16)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3,(H,18,19).
What are the key properties of 2-bromo-3,3-dimethyl-N-(1-phenylcyclobutyl)butanamide?
2-bromo-3,3-dimethyl-N-(1-phenylcyclobutyl)butanamide has a molecular weight of 324.26 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,3-dimethyl-N-(1-phenylcyclobutyl)butanamide is sourced from PubChem (CID 12760544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).