2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-ethyl-N-methylacetamide

C15H21BrN2O — CID 106704308

IUPAC2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C15H21BrN2O/c1-3-18(2)15(19)10-17-14-8-12(9-14)11-5-4-6-13(16)7-11/h4-7,12,14,17H,3,8-10H2,1-2H3
InChIKeyFJDAGIXLKVPNKQ-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.76
Rot. Bonds5

About 2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-ethyl-N-methylacetamide

2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-ethyl-N-methylacetamide (PubChem CID 106704308) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-ethyl-N-methylacetamide
PubChem CID106704308
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C15H21BrN2O/c1-3-18(2)15(19)10-17-14-8-12(9-14)11-5-4-6-13(16)7-11/h4-7,12,14,17H,3,8-10H2,1-2H3
InChIKeyFJDAGIXLKVPNKQ-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-[[3-(3-methylphenyl)cyclobutyl]amino]acetamide
CID 43635313
2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide
CID 115355958
N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634641
2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide
CID 43635314
ethyl 4-[[3-(3-bromophenyl)cyclobutyl]amino]butanoate
CID 64580836
3-[[3-(3-bromophenyl)cyclobutyl]amino]propanoic acid
CID 43635224
3-[[3-(3-bromophenyl)cyclobutyl]amino]-2,2-dimethylpropanamide
CID 106704288
2-[[3-[[3-(3-bromophenyl)cyclobutyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122042438
3-[[3-(3-bromophenyl)cyclobutyl]amino]-N-butan-2-ylpropanamide
CID 61021329
3-(3-bromophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
CID 106704232
4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 106840971
3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632521

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-ethyl-N-methylacetamide (CID 106704308) is 2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNC1CC(c2cccc(Br)c2)C1.
What is the InChIKey of 2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-ethyl-N-methylacetamide?
The InChIKey is FJDAGIXLKVPNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-3-18(2)15(19)10-17-14-8-12(9-14)11-5-4-6-13(16)7-11/h4-7,12,14,17H,3,8-10H2,1-2H3.
What are the key properties of 2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-ethyl-N-methylacetamide?
2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-ethyl-N-methylacetamide has a molecular weight of 325.25 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 106704308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).