1-[3-[2-(cyclobutylamino)cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone

C20H27NO2 — CID 147506241

IUPAC1-[3-[2-(cyclobutylamino)cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)c1cccc(C2CC2NC2CCC2)c1
InChIInChI=1S/C20H27NO2/c22-20(11-14-7-9-23-10-8-14)16-4-1-3-15(12-16)18-13-19(18)21-17-5-2-6-17/h1,3-4,12,14,17-19,21H,2,5-11,13H2
InChIKeyFIJVGWMVZOIZDK-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.68
Rot. Bonds6

About 1-[3-[2-(cyclobutylamino)cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone

1-[3-[2-(cyclobutylamino)cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone (PubChem CID 147506241) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-[3-[2-(cyclobutylamino)cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-[3-[2-(cyclobutylamino)cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone
PubChem CID147506241
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name1-[3-[2-(cyclobutylamino)cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)c1cccc(C2CC2NC2CCC2)c1
InChIInChI=1S/C20H27NO2/c22-20(11-14-7-9-23-10-8-14)16-4-1-3-15(12-16)18-13-19(18)21-17-5-2-6-17/h1,3-4,12,14,17-19,21H,2,5-11,13H2
InChIKeyFIJVGWMVZOIZDK-UHFFFAOYSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone
CID 147276519
2-cyclopentyl-1-[3-[2-(oxan-4-ylmethylamino)cyclopropyl]phenyl]ethanone
CID 159215785
N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304127
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304316
N-(2-phenylcyclopropyl)oxepan-4-amine
CID 65081970
3-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 118304644
N-(1-tert-butylpyrazol-4-yl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide;dihydrochloride
CID 118305093
(E)-but-2-enedioic acid;N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304676
N-cyclopentyl-5-[2-(oxan-4-ylamino)cyclopropyl]-2-phosphanylbenzamide
CID 139384206
3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]benzaldehyde;N-methyloxan-4-amine
CID 144605469
N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]benzamide;hydrochloride
CID 118304120
5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide
CID 118433136

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(cyclobutylamino)cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-[3-[2-(cyclobutylamino)cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone (CID 147506241) is 1-[3-[2-(cyclobutylamino)cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-[3-[2-(cyclobutylamino)cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-[3-[2-(cyclobutylamino)cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone is O=C(CC1CCOCC1)c1cccc(C2CC2NC2CCC2)c1.
What is the InChIKey of 1-[3-[2-(cyclobutylamino)cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone?
The InChIKey is FIJVGWMVZOIZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c22-20(11-14-7-9-23-10-8-14)16-4-1-3-15(12-16)18-13-19(18)21-17-5-2-6-17/h1,3-4,12,14,17-19,21H,2,5-11,13H2.
What are the key properties of 1-[3-[2-(cyclobutylamino)cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone?
1-[3-[2-(cyclobutylamino)cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone has a molecular weight of 313.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(cyclobutylamino)cyclopropyl]phenyl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 147506241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).