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

C16H23BrN2O — CID 115356113

IUPAC2-[[3-(2-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNC1CC(c2ccccc2Br)C1
InChIInChI=1S/C16H23BrN2O/c1-16(2,3)19-15(20)10-18-12-8-11(9-12)13-6-4-5-7-14(13)17/h4-7,11-12,18H,8-10H2,1-3H3,(H,19,20)
InChIKeyLHVNIEPNWRYZJD-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.20
Rot. Bonds4

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

2-[[3-(2-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide (PubChem CID 115356113) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-[[3-(2-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[3-(2-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide
PubChem CID115356113
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name2-[[3-(2-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNC1CC(c2ccccc2Br)C1
InChIInChI=1S/C16H23BrN2O/c1-16(2,3)19-15(20)10-18-12-8-11(9-12)13-6-4-5-7-14(13)17/h4-7,11-12,18H,8-10H2,1-3H3,(H,19,20)
InChIKeyLHVNIEPNWRYZJD-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-(2-methylphenyl)cyclobutyl]amino]acetamide
CID 115355956
N-tert-butyl-2-[(3-phenylcyclobutyl)amino]acetamide
CID 115356209
2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide
CID 115355958
3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106181318
3-(2-bromophenyl)-N-(2-methyl-2-methylsulfanylpropyl)cyclobutan-1-amine
CID 113478701
2-(2-bromoanilino)-N-tert-butylacetamide
CID 28581046
3-[[3-(2-bromophenyl)cyclobutyl]amino]-2-hydroxypropanamide
CID 106172030
3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine
CID 102904692
3-(2-bromophenyl)-N-propan-2-ylcyclobutan-1-amine
CID 43632648
3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine
CID 43632723
6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol
CID 107849622
1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol
CID 113497556

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide?
The IUPAC name of 2-[[3-(2-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide (CID 115356113) is 2-[[3-(2-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[3-(2-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[3-(2-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CNC1CC(c2ccccc2Br)C1.
What is the InChIKey of 2-[[3-(2-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide?
The InChIKey is LHVNIEPNWRYZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-16(2,3)19-15(20)10-18-12-8-11(9-12)13-6-4-5-7-14(13)17/h4-7,11-12,18H,8-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[[3-(2-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide?
2-[[3-(2-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-(2-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide is sourced from PubChem (CID 115356113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).