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

C18H19NO — CID 116591184

IUPAC2-(1-aminocyclobutyl)-1-(4-phenylphenyl)ethanone
SMILESNC1(CC(=O)c2ccc(-c3ccccc3)cc2)CCC1
InChIInChI=1S/C18H19NO/c19-18(11-4-12-18)13-17(20)16-9-7-15(8-10-16)14-5-2-1-3-6-14/h1-3,5-10H,4,11-13,19H2
InChIKeyLZCLESQQWIKJEH-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.81
Rot. Bonds4

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

2-(1-aminocyclobutyl)-1-(4-phenylphenyl)ethanone (PubChem CID 116591184) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-(4-phenylphenyl)ethanone
PubChem CID116591184
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-(1-aminocyclobutyl)-1-(4-phenylphenyl)ethanone
SMILESNC1(CC(=O)c2ccc(-c3ccccc3)cc2)CCC1
InChIInChI=1S/C18H19NO/c19-18(11-4-12-18)13-17(20)16-9-7-15(8-10-16)14-5-2-1-3-6-14/h1-3,5-10H,4,11-13,19H2
InChIKeyLZCLESQQWIKJEH-UHFFFAOYSA-N
XLogP3.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopentyl)-1-(4-ethylphenyl)ethanone
CID 116578853
(1-aminocyclopentyl)-(4-phenylphenyl)methanone
CID 116558729
2-(1-aminocyclobutyl)-1-(4-propoxyphenyl)ethanone
CID 116591254
2-cyclopentyl-1-(4-phenylphenyl)ethanone
CID 23550345
2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 107561340
2-(1-aminocyclopentyl)-1-(2-methylphenyl)ethanone
CID 116578815
1-(4-phenylphenyl)-3-sulfanylpropan-1-one
CID 116830745
2-(1-aminocyclopentyl)-1-thiophen-3-ylethanone
CID 116578647
1-(1-aminocyclopentyl)-3-phenylpropan-2-one
CID 116578581
2-(1-aminocyclohexyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 116579044
1-(1-aminocyclobutyl)-5-phenylpentan-2-one
CID 116591176
2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 116578791

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-(4-phenylphenyl)ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-(4-phenylphenyl)ethanone (CID 116591184) is 2-(1-aminocyclobutyl)-1-(4-phenylphenyl)ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-(4-phenylphenyl)ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-(4-phenylphenyl)ethanone is NC1(CC(=O)c2ccc(-c3ccccc3)cc2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-(4-phenylphenyl)ethanone?
The InChIKey is LZCLESQQWIKJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c19-18(11-4-12-18)13-17(20)16-9-7-15(8-10-16)14-5-2-1-3-6-14/h1-3,5-10H,4,11-13,19H2.
What are the key properties of 2-(1-aminocyclobutyl)-1-(4-phenylphenyl)ethanone?
2-(1-aminocyclobutyl)-1-(4-phenylphenyl)ethanone has a molecular weight of 265.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-(4-phenylphenyl)ethanone is sourced from PubChem (CID 116591184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).