2-(1-aminocyclobutyl)-1-(4-propoxyphenyl)ethanone

C15H21NO2 — CID 116591254

IUPAC2-(1-aminocyclobutyl)-1-(4-propoxyphenyl)ethanone
SMILESCCCOc1ccc(C(=O)CC2(N)CCC2)cc1
InChIInChI=1S/C15H21NO2/c1-2-10-18-13-6-4-12(5-7-13)14(17)11-15(16)8-3-9-15/h4-7H,2-3,8-11,16H2,1H3
InChIKeyMGOLQKMJGBYDFN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.93
Rot. Bonds6

About 2-(1-aminocyclobutyl)-1-(4-propoxyphenyl)ethanone

2-(1-aminocyclobutyl)-1-(4-propoxyphenyl)ethanone (PubChem CID 116591254) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-(4-propoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-(4-propoxyphenyl)ethanone
PubChem CID116591254
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(1-aminocyclobutyl)-1-(4-propoxyphenyl)ethanone
SMILESCCCOc1ccc(C(=O)CC2(N)CCC2)cc1
InChIInChI=1S/C15H21NO2/c1-2-10-18-13-6-4-12(5-7-13)14(17)11-15(16)8-3-9-15/h4-7H,2-3,8-11,16H2,1H3
InChIKeyMGOLQKMJGBYDFN-UHFFFAOYSA-N
XLogP2.93
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone
CID 116591204
2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride
CID 50988222
ethyl 3-oxo-3-(4-propoxyphenyl)propanoate
CID 10682113
2-cyclohexyl-1-(4-propoxyphenyl)ethanone
CID 12505088
1-[4-(2-aminoethoxy)phenyl]-2-(1-ethylcyclopentyl)ethanone
CID 22978354
2-(1-aminocyclobutyl)-1-(4-phenylphenyl)ethanone
CID 116591184
3-oxo-3-(4-propoxyphenyl)propanoic acid
CID 170886903
1,2-bis(4-propoxyphenyl)ethanone
CID 58229205
1-(4-propoxyphenyl)-2-(propylamino)ethanone
CID 82101916
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-(4-propoxyphenyl)propan-1-one;hydrochloride
CID 120851873
butyl 4-oxo-4-(4-propoxyphenyl)butanoate
CID 60731121
3-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 105096969

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-(4-propoxyphenyl)ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-(4-propoxyphenyl)ethanone (CID 116591254) is 2-(1-aminocyclobutyl)-1-(4-propoxyphenyl)ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-(4-propoxyphenyl)ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-(4-propoxyphenyl)ethanone is CCCOc1ccc(C(=O)CC2(N)CCC2)cc1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-(4-propoxyphenyl)ethanone?
The InChIKey is MGOLQKMJGBYDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-10-18-13-6-4-12(5-7-13)14(17)11-15(16)8-3-9-15/h4-7H,2-3,8-11,16H2,1H3.
What are the key properties of 2-(1-aminocyclobutyl)-1-(4-propoxyphenyl)ethanone?
2-(1-aminocyclobutyl)-1-(4-propoxyphenyl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-(4-propoxyphenyl)ethanone is sourced from PubChem (CID 116591254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).