2-[[3-(4-bromophenyl)cyclobutyl]amino]-N-propan-2-ylacetamide

C15H21BrN2O — CID 43635693

IUPAC2-[[3-(4-bromophenyl)cyclobutyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrN2O/c1-10(2)18-15(19)9-17-14-7-12(8-14)11-3-5-13(16)6-4-11/h3-6,10,12,14,17H,7-9H2,1-2H3,(H,18,19)
InChIKeyDHINYNQOXPJJOM-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.81
Rot. Bonds5

About 2-[[3-(4-bromophenyl)cyclobutyl]amino]-N-propan-2-ylacetamide

2-[[3-(4-bromophenyl)cyclobutyl]amino]-N-propan-2-ylacetamide (PubChem CID 43635693) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-[[3-(4-bromophenyl)cyclobutyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[3-(4-bromophenyl)cyclobutyl]amino]-N-propan-2-ylacetamide
PubChem CID43635693
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-[[3-(4-bromophenyl)cyclobutyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrN2O/c1-10(2)18-15(19)9-17-14-7-12(8-14)11-3-5-13(16)6-4-11/h3-6,10,12,14,17H,7-9H2,1-2H3,(H,18,19)
InChIKeyDHINYNQOXPJJOM-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 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 ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632689
3-(4-bromophenyl)-N-(5-methylhexyl)cyclobutan-1-amine
CID 115325074
1-[[3-(4-bromophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol
CID 66179964
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide
CID 43635290
3-(4-bromophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine
CID 62994419
2-(4-bromoanilino)-N-propan-2-ylacetamide
CID 17401945
3-[[3-(4-bromophenyl)cyclobutyl]amino]propan-1-ol
CID 43634672
2-(cyclohexylamino)-N-propan-2-ylacetamide
CID 28565007
3-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
CID 63822564
3-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol
CID 66004545
2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide
CID 115355958
N-tert-butyl-2-[(3-phenylcyclobutyl)amino]acetamide
CID 115356209

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-bromophenyl)cyclobutyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[3-(4-bromophenyl)cyclobutyl]amino]-N-propan-2-ylacetamide (CID 43635693) is 2-[[3-(4-bromophenyl)cyclobutyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[3-(4-bromophenyl)cyclobutyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[3-(4-bromophenyl)cyclobutyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC1CC(c2ccc(Br)cc2)C1.
What is the InChIKey of 2-[[3-(4-bromophenyl)cyclobutyl]amino]-N-propan-2-ylacetamide?
The InChIKey is DHINYNQOXPJJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10(2)18-15(19)9-17-14-7-12(8-14)11-3-5-13(16)6-4-11/h3-6,10,12,14,17H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[[3-(4-bromophenyl)cyclobutyl]amino]-N-propan-2-ylacetamide?
2-[[3-(4-bromophenyl)cyclobutyl]amino]-N-propan-2-ylacetamide has a molecular weight of 325.25 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-bromophenyl)cyclobutyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 43635693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).