3-[[3-(3-bromophenyl)cyclobutyl]amino]-2,2-dimethylpropanamide

C15H21BrN2O — CID 106704288

IUPAC3-[[3-(3-bromophenyl)cyclobutyl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNC1CC(c2cccc(Br)c2)C1)C(N)=O
InChIInChI=1S/C15H21BrN2O/c1-15(2,14(17)19)9-18-13-7-11(8-13)10-4-3-5-12(16)6-10/h3-6,11,13,18H,7-9H2,1-2H3,(H2,17,19)
InChIKeyHHATYVDRKAGMNJ-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.80
Rot. Bonds5

About 3-[[3-(3-bromophenyl)cyclobutyl]amino]-2,2-dimethylpropanamide

3-[[3-(3-bromophenyl)cyclobutyl]amino]-2,2-dimethylpropanamide (PubChem CID 106704288) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-[[3-(3-bromophenyl)cyclobutyl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[3-(3-bromophenyl)cyclobutyl]amino]-2,2-dimethylpropanamide
PubChem CID106704288
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name3-[[3-(3-bromophenyl)cyclobutyl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNC1CC(c2cccc(Br)c2)C1)C(N)=O
InChIInChI=1S/C15H21BrN2O/c1-15(2,14(17)19)9-18-13-7-11(8-13)10-4-3-5-12(16)6-10/h3-6,11,13,18H,7-9H2,1-2H3,(H2,17,19)
InChIKeyHHATYVDRKAGMNJ-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide
CID 115355958
N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634641
ethyl 4-[[3-(3-bromophenyl)cyclobutyl]amino]butanoate
CID 64580836
3-[[3-(3-bromophenyl)cyclobutyl]amino]propanoic acid
CID 43635224
2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
CID 103617386
2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-ethyl-N-methylacetamide
CID 106704308
3-[(3-bromophenyl)methylamino]-2,2-dimethylpropanamide
CID 115582736
3-[[3-(3-bromophenyl)cyclobutyl]amino]-1,1-difluoropropan-2-ol
CID 106704265
4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 106840971
3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632521
3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine
CID 63452022
3-(3-bromophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]cyclobutan-1-amine
CID 65246365

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-bromophenyl)cyclobutyl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[3-(3-bromophenyl)cyclobutyl]amino]-2,2-dimethylpropanamide (CID 106704288) is 3-[[3-(3-bromophenyl)cyclobutyl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[3-(3-bromophenyl)cyclobutyl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[3-(3-bromophenyl)cyclobutyl]amino]-2,2-dimethylpropanamide is CC(C)(CNC1CC(c2cccc(Br)c2)C1)C(N)=O.
What is the InChIKey of 3-[[3-(3-bromophenyl)cyclobutyl]amino]-2,2-dimethylpropanamide?
The InChIKey is HHATYVDRKAGMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-15(2,14(17)19)9-18-13-7-11(8-13)10-4-3-5-12(16)6-10/h3-6,11,13,18H,7-9H2,1-2H3,(H2,17,19).
What are the key properties of 3-[[3-(3-bromophenyl)cyclobutyl]amino]-2,2-dimethylpropanamide?
3-[[3-(3-bromophenyl)cyclobutyl]amino]-2,2-dimethylpropanamide has a molecular weight of 325.25 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-bromophenyl)cyclobutyl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106704288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).