1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one

C19H28ClNO2 — CID 19823764

IUPAC1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one
SMILESCOC(C)CCC(=O)C(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C19H28ClNO2/c1-14(23-4)6-11-17(22)18(21(2)3)19(12-5-13-19)15-7-9-16(20)10-8-15/h7-10,14,18H,5-6,11-13H2,1-4H3
InChIKeyQYHAUWYDRULDPO-UHFFFAOYSA-N
MW337.89 g/mol
LogP4.08
Rot. Bonds8

About 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one

1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one (PubChem CID 19823764) has the molecular formula C19H28ClNO2 and a molecular weight of 337.89 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one
PubChem CID19823764
Molecular FormulaC19H28ClNO2
Molecular Weight337.89 g/mol
Exact Mass337.18
IUPAC Name1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one
SMILESCOC(C)CCC(=O)C(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C19H28ClNO2/c1-14(23-4)6-11-17(22)18(21(2)3)19(12-5-13-19)15-7-9-16(20)10-8-15/h7-10,14,18H,5-6,11-13H2,1-4H3
InChIKeyQYHAUWYDRULDPO-UHFFFAOYSA-N
XLogP4.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(3,4-Dichlorophenyl)cyclobutyl]-5-dimethylamino-4-oxopentyl acetate
CID 19823610
1-[1-(4-Chlorophenyl)cyclobutyl]-1-dimethylamino-3-methylbutan-2-one hydrochloride
CID 19823619
1-[1-(4-Chlorophenyl)cyclobutyl]-1-dimethylamino-3-methylbutan-2-one
CID 19823620
7-[1-(4-Chlorophenyl)cyclobutyl]-7-dimethylamino-3-methylheptan-2-one
CID 19823636
5-[1-(4-Chlorophenyl)cyclobutyl]-5-dimethylaminopentyl acetate
CID 19823638
1-[1-(4-Chlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxypentan-2-one
CID 19823641
8-[1-(4-Chlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-one
CID 19823658
1-{4-[1-(4-Chlorophenyl)cyclobutyl]-4-dimethylaminobutoxy}propan-2-one
CID 19823659
10-[1-(4-Chlorophenyl)cyclobutyl]-10-(dimethylamino)decan-2-one
CID 19823689
1-[1-(4-Chlorophenyl)cyclobutyl]-1-(dimethylamino)dec-9-en-2-one
CID 19823694
1-[1-(4-Chlorophenyl)cyclobutyl]-1-(dimethylamino)nonan-2-one
CID 19823702
1-[1-(3,4-Dichlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one
CID 19823718

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one (CID 19823764) is 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one is COC(C)CCC(=O)C(N(C)C)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one?
The InChIKey is QYHAUWYDRULDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClNO2/c1-14(23-4)6-11-17(22)18(21(2)3)19(12-5-13-19)15-7-9-16(20)10-8-15/h7-10,14,18H,5-6,11-13H2,1-4H3.
What are the key properties of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one?
1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one has a molecular weight of 337.89 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one is sourced from PubChem (CID 19823764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).