10-[1-(4-chlorophenyl)cyclobutyl]-10-(dimethylamino)decan-2-one

C22H34ClNO — CID 19823689

IUPAC10-[1-(4-chlorophenyl)cyclobutyl]-10-(dimethylamino)decan-2-one
SMILESCC(=O)CCCCCCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C22H34ClNO/c1-18(25)10-7-5-4-6-8-11-21(24(2)3)22(16-9-17-22)19-12-14-20(23)15-13-19/h12-15,21H,4-11,16-17H2,1-3H3
InChIKeySYIYWQLNUJDGMB-UHFFFAOYSA-N
MW363.97 g/mol
LogP6.01
Rot. Bonds11

About 10-[1-(4-chlorophenyl)cyclobutyl]-10-(dimethylamino)decan-2-one

10-[1-(4-chlorophenyl)cyclobutyl]-10-(dimethylamino)decan-2-one (PubChem CID 19823689) has the molecular formula C22H34ClNO and a molecular weight of 363.97 g/mol. Its IUPAC name is 10-[1-(4-chlorophenyl)cyclobutyl]-10-(dimethylamino)decan-2-one.

Molecular Properties

Compound Name10-[1-(4-chlorophenyl)cyclobutyl]-10-(dimethylamino)decan-2-one
PubChem CID19823689
Molecular FormulaC22H34ClNO
Molecular Weight363.97 g/mol
Exact Mass363.23
IUPAC Name10-[1-(4-chlorophenyl)cyclobutyl]-10-(dimethylamino)decan-2-one
SMILESCC(=O)CCCCCCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C22H34ClNO/c1-18(25)10-7-5-4-6-8-11-21(24(2)3)22(16-9-17-22)19-12-14-20(23)15-13-19/h12-15,21H,4-11,16-17H2,1-3H3
InChIKeySYIYWQLNUJDGMB-UHFFFAOYSA-N
XLogP6.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.97
LogP ≤ 56.01
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
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-(3-Chlorophenyl)-4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]butanamide
CID 12612278
2-(2-Chlorophenyl)-4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]butanamide
CID 12612279
2-(2-Chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-[di(propan-2-yl)amino]butanamide
CID 12612301
2-(1-Cyclopenten-1-yl)-2-dimethylaminoethyl-5-(E)-[(4-chloro) benzylidene] cyclopentanone hydrochloride
CID 6516862

Frequently Asked Questions

What is the IUPAC name of 10-[1-(4-chlorophenyl)cyclobutyl]-10-(dimethylamino)decan-2-one?
The IUPAC name of 10-[1-(4-chlorophenyl)cyclobutyl]-10-(dimethylamino)decan-2-one (CID 19823689) is 10-[1-(4-chlorophenyl)cyclobutyl]-10-(dimethylamino)decan-2-one.
What is the SMILES notation for 10-[1-(4-chlorophenyl)cyclobutyl]-10-(dimethylamino)decan-2-one?
The canonical SMILES for 10-[1-(4-chlorophenyl)cyclobutyl]-10-(dimethylamino)decan-2-one is CC(=O)CCCCCCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 10-[1-(4-chlorophenyl)cyclobutyl]-10-(dimethylamino)decan-2-one?
The InChIKey is SYIYWQLNUJDGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34ClNO/c1-18(25)10-7-5-4-6-8-11-21(24(2)3)22(16-9-17-22)19-12-14-20(23)15-13-19/h12-15,21H,4-11,16-17H2,1-3H3.
What are the key properties of 10-[1-(4-chlorophenyl)cyclobutyl]-10-(dimethylamino)decan-2-one?
10-[1-(4-chlorophenyl)cyclobutyl]-10-(dimethylamino)decan-2-one has a molecular weight of 363.97 g/mol, XLogP of 6.01, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[1-(4-chlorophenyl)cyclobutyl]-10-(dimethylamino)decan-2-one is sourced from PubChem (CID 19823689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).