2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide

C16H23BrN2O — CID 115355958

IUPAC2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C16H23BrN2O/c1-16(2,3)19-15(20)10-18-14-8-12(9-14)11-5-4-6-13(17)7-11/h4-7,12,14,18H,8-10H2,1-3H3,(H,19,20)
InChIKeyUAFNMWMKFHTQCW-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.20
Rot. Bonds4

About 2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide

2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide (PubChem CID 115355958) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide
PubChem CID115355958
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C16H23BrN2O/c1-16(2,3)19-15(20)10-18-14-8-12(9-14)11-5-4-6-13(17)7-11/h4-7,12,14,18H,8-10H2,1-3H3,(H,19,20)
InChIKeyUAFNMWMKFHTQCW-UHFFFAOYSA-N
XLogP3.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[(3-phenylcyclobutyl)amino]acetamide
CID 115356209
3-[[3-(3-bromophenyl)cyclobutyl]amino]-2,2-dimethylpropanamide
CID 106704288
2-[[3-(2-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide
CID 115356113
2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-ethyl-N-methylacetamide
CID 106704308
N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634641
3-[[3-(3-bromophenyl)cyclobutyl]amino]propanoic acid
CID 43635224
N-tert-butyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]acetamide
CID 115355956
3-[[3-(3-bromophenyl)cyclobutyl]amino]-N-butan-2-ylpropanamide
CID 61021329
4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 106840971
3-(3-bromophenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 106704306
1-[4-[[3-(3-bromophenyl)cyclobutyl]amino]piperidin-1-yl]ethanone
CID 43746005
ethyl 4-[[3-(3-bromophenyl)cyclobutyl]amino]butanoate
CID 64580836

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide?
The IUPAC name of 2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide (CID 115355958) is 2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CNC1CC(c2cccc(Br)c2)C1.
What is the InChIKey of 2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide?
The InChIKey is UAFNMWMKFHTQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-16(2,3)19-15(20)10-18-14-8-12(9-14)11-5-4-6-13(17)7-11/h4-7,12,14,18H,8-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide?
2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide has a molecular weight of 339.28 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide is sourced from PubChem (CID 115355958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).