8-[1-(4-chlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-one

C20H30ClNO — CID 19823658

IUPAC8-[1-(4-chlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-one
SMILESCC(=O)CCCCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C20H30ClNO/c1-16(23)8-5-4-6-9-19(22(2)3)20(14-7-15-20)17-10-12-18(21)13-11-17/h10-13,19H,4-9,14-15H2,1-3H3
InChIKeyBBGIFVDTPBEKTR-UHFFFAOYSA-N
MW335.92 g/mol
LogP5.23
Rot. Bonds9

About 8-[1-(4-chlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-one

8-[1-(4-chlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-one (PubChem CID 19823658) has the molecular formula C20H30ClNO and a molecular weight of 335.92 g/mol. Its IUPAC name is 8-[1-(4-chlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-one.

Molecular Properties

Compound Name8-[1-(4-chlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-one
PubChem CID19823658
Molecular FormulaC20H30ClNO
Molecular Weight335.92 g/mol
Exact Mass335.20
IUPAC Name8-[1-(4-chlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-one
SMILESCC(=O)CCCCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C20H30ClNO/c1-16(23)8-5-4-6-9-19(22(2)3)20(14-7-15-20)17-10-12-18(21)13-11-17/h10-13,19H,4-9,14-15H2,1-3H3
InChIKeyBBGIFVDTPBEKTR-UHFFFAOYSA-N
XLogP5.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.92
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Sibutramine
CID 5210
Sibutramine Hydrochloride
CID 64764
Meridia
CID 64765
(-)-Sibutramine
CID 937011
4-(4-Chlorophenyl)-4-(dimethylamino)cyclohexan-1-one
CID 12595650
4-Chlorodimethylcathinone
CID 43794736
Azepan-1-yl-[1-(4-chlorophenyl)cyclobutyl]methanone
CID 134016721
3-(4-Chlorophenyl)-2-(dimethylamino)-1-phenylpropan-1-one
CID 3275442
(5Z)-5-[(4-chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one;hydrochloride
CID 45281163
2-(4-Chlorophenyl)-4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]butanamide
CID 12612274
2-(1-Cyclopenten-1-yl)-2-dimethylaminoethyl-5-(E)-[(4-chloro) benzylidene] cyclopentanone hydrochloride
CID 6516862
Butyramide, 2-(p-chlorophenyl)-4-(dimethylamino)-2-isopropyl-
CID 26910

Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-chlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-one?
The IUPAC name of 8-[1-(4-chlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-one (CID 19823658) is 8-[1-(4-chlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-one.
What is the SMILES notation for 8-[1-(4-chlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-one?
The canonical SMILES for 8-[1-(4-chlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-one is CC(=O)CCCCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 8-[1-(4-chlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-one?
The InChIKey is BBGIFVDTPBEKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClNO/c1-16(23)8-5-4-6-9-19(22(2)3)20(14-7-15-20)17-10-12-18(21)13-11-17/h10-13,19H,4-9,14-15H2,1-3H3.
What are the key properties of 8-[1-(4-chlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-one?
8-[1-(4-chlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-one has a molecular weight of 335.92 g/mol, XLogP of 5.23, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(4-chlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-one is sourced from PubChem (CID 19823658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).