7-[1-(4-chlorophenyl)cyclobutyl]-7-(dimethylamino)-3-methylheptan-2-one

C20H30ClNO — CID 19823636

IUPAC7-[1-(4-chlorophenyl)cyclobutyl]-7-(dimethylamino)-3-methylheptan-2-one
SMILESCC(=O)C(C)CCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C20H30ClNO/c1-15(16(2)23)7-5-8-19(22(3)4)20(13-6-14-20)17-9-11-18(21)12-10-17/h9-12,15,19H,5-8,13-14H2,1-4H3
InChIKeyFYMMPRDOPOJXDF-UHFFFAOYSA-N
MW335.92 g/mol
LogP5.09
Rot. Bonds8

About 7-[1-(4-chlorophenyl)cyclobutyl]-7-(dimethylamino)-3-methylheptan-2-one

7-[1-(4-chlorophenyl)cyclobutyl]-7-(dimethylamino)-3-methylheptan-2-one (PubChem CID 19823636) has the molecular formula C20H30ClNO and a molecular weight of 335.92 g/mol. Its IUPAC name is 7-[1-(4-chlorophenyl)cyclobutyl]-7-(dimethylamino)-3-methylheptan-2-one.

Molecular Properties

Compound Name7-[1-(4-chlorophenyl)cyclobutyl]-7-(dimethylamino)-3-methylheptan-2-one
PubChem CID19823636
Molecular FormulaC20H30ClNO
Molecular Weight335.92 g/mol
Exact Mass335.20
IUPAC Name7-[1-(4-chlorophenyl)cyclobutyl]-7-(dimethylamino)-3-methylheptan-2-one
SMILESCC(=O)C(C)CCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C20H30ClNO/c1-15(16(2)23)7-5-8-19(22(3)4)20(13-6-14-20)17-9-11-18(21)12-10-17/h9-12,15,19H,5-8,13-14H2,1-4H3
InChIKeyFYMMPRDOPOJXDF-UHFFFAOYSA-N
XLogP5.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.92
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
Azepan-1-yl-[1-(4-chlorophenyl)cyclobutyl]methanone
CID 134016721
(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
1-(4-Chlorophenyl)-3-(dimethylamino)-2,2-dimethylpropan-1-one
CID 104433
(+)-Sibutramine
CID 667542

Frequently Asked Questions

What is the IUPAC name of 7-[1-(4-chlorophenyl)cyclobutyl]-7-(dimethylamino)-3-methylheptan-2-one?
The IUPAC name of 7-[1-(4-chlorophenyl)cyclobutyl]-7-(dimethylamino)-3-methylheptan-2-one (CID 19823636) is 7-[1-(4-chlorophenyl)cyclobutyl]-7-(dimethylamino)-3-methylheptan-2-one.
What is the SMILES notation for 7-[1-(4-chlorophenyl)cyclobutyl]-7-(dimethylamino)-3-methylheptan-2-one?
The canonical SMILES for 7-[1-(4-chlorophenyl)cyclobutyl]-7-(dimethylamino)-3-methylheptan-2-one is CC(=O)C(C)CCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 7-[1-(4-chlorophenyl)cyclobutyl]-7-(dimethylamino)-3-methylheptan-2-one?
The InChIKey is FYMMPRDOPOJXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClNO/c1-15(16(2)23)7-5-8-19(22(3)4)20(13-6-14-20)17-9-11-18(21)12-10-17/h9-12,15,19H,5-8,13-14H2,1-4H3.
What are the key properties of 7-[1-(4-chlorophenyl)cyclobutyl]-7-(dimethylamino)-3-methylheptan-2-one?
7-[1-(4-chlorophenyl)cyclobutyl]-7-(dimethylamino)-3-methylheptan-2-one has a molecular weight of 335.92 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(4-chlorophenyl)cyclobutyl]-7-(dimethylamino)-3-methylheptan-2-one is sourced from PubChem (CID 19823636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).