[5-[1-(3,4-dichlorophenyl)cyclobutyl]-5-(dimethylamino)-4-oxopentyl] acetate

C19H25Cl2NO3 — CID 19823610

IUPAC[5-[1-(3,4-dichlorophenyl)cyclobutyl]-5-(dimethylamino)-4-oxopentyl] acetate
SMILESCC(=O)OCCCC(=O)C(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C19H25Cl2NO3/c1-13(23)25-11-4-6-17(24)18(22(2)3)19(9-5-10-19)14-7-8-15(20)16(21)12-14/h7-8,12,18H,4-6,9-11H2,1-3H3
InChIKeyABTNIQNUAYTLTJ-UHFFFAOYSA-N
MW386.32 g/mol
LogP4.26
Rot. Bonds8

About [5-[1-(3,4-dichlorophenyl)cyclobutyl]-5-(dimethylamino)-4-oxopentyl] acetate

[5-[1-(3,4-dichlorophenyl)cyclobutyl]-5-(dimethylamino)-4-oxopentyl] acetate (PubChem CID 19823610) has the molecular formula C19H25Cl2NO3 and a molecular weight of 386.32 g/mol. Its IUPAC name is [5-[1-(3,4-dichlorophenyl)cyclobutyl]-5-(dimethylamino)-4-oxopentyl] acetate.

Molecular Properties

Compound Name[5-[1-(3,4-dichlorophenyl)cyclobutyl]-5-(dimethylamino)-4-oxopentyl] acetate
PubChem CID19823610
Molecular FormulaC19H25Cl2NO3
Molecular Weight386.32 g/mol
Exact Mass385.12
IUPAC Name[5-[1-(3,4-dichlorophenyl)cyclobutyl]-5-(dimethylamino)-4-oxopentyl] acetate
SMILESCC(=O)OCCCC(=O)C(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C19H25Cl2NO3/c1-13(23)25-11-4-6-17(24)18(22(2)3)19(9-5-10-19)14-7-8-15(20)16(21)12-14/h7-8,12,18H,4-6,9-11H2,1-3H3
InChIKeyABTNIQNUAYTLTJ-UHFFFAOYSA-N
XLogP4.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-[1-(3,4-dichlorophenyl)cyclobutyl]-5-(dimethylamino)-4-oxopentyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3,4-Dichlorophenyl)cyclobutyl]-1-(dimethylamino)octan-2-one
CID 19823616
1-[1-(3,4-Dichlorophenyl)cyclobutyl]-1-(dimethylamino)-4-methylpentan-2-one
CID 19823633
1-[Cyclohexyl(methyl)amino]-1-[1-(3,4-dichlorophenyl)cyclobutyl]butan-2-one
CID 19823635
5-[1-(4-Chlorophenyl)cyclobutyl]-5-dimethylaminopentyl acetate
CID 19823638
1-[1-(4-Chlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxypentan-2-one
CID 19823641
1-[1-(3,4-Dichlorophenyl)cyclobutyl]-1-(dimethylamino)hexan-2-one
CID 19823647
8-[1-(3,4-Dichlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-one
CID 19823665
1-[1-(3,4-Dichlorophenyl)cyclobutyl]-1-dimethylaminobutan-2-one
CID 19823701
1-[1-(3,4-Dichlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one
CID 19823718
1-[1-(3,4-Dichlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methylhexan-2-one
CID 19823753
1-[1-(3,4-Dichlorophenyl)cyclobutyl]-1-morpholin-4-ylpropan-2-one
CID 19823756
1-[1-(4-Chlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxyhexan-2-one
CID 19823764

Frequently Asked Questions

What is the IUPAC name of [5-[1-(3,4-dichlorophenyl)cyclobutyl]-5-(dimethylamino)-4-oxopentyl] acetate?
The IUPAC name of [5-[1-(3,4-dichlorophenyl)cyclobutyl]-5-(dimethylamino)-4-oxopentyl] acetate (CID 19823610) is [5-[1-(3,4-dichlorophenyl)cyclobutyl]-5-(dimethylamino)-4-oxopentyl] acetate.
What is the SMILES notation for [5-[1-(3,4-dichlorophenyl)cyclobutyl]-5-(dimethylamino)-4-oxopentyl] acetate?
The canonical SMILES for [5-[1-(3,4-dichlorophenyl)cyclobutyl]-5-(dimethylamino)-4-oxopentyl] acetate is CC(=O)OCCCC(=O)C(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of [5-[1-(3,4-dichlorophenyl)cyclobutyl]-5-(dimethylamino)-4-oxopentyl] acetate?
The InChIKey is ABTNIQNUAYTLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2NO3/c1-13(23)25-11-4-6-17(24)18(22(2)3)19(9-5-10-19)14-7-8-15(20)16(21)12-14/h7-8,12,18H,4-6,9-11H2,1-3H3.
What are the key properties of [5-[1-(3,4-dichlorophenyl)cyclobutyl]-5-(dimethylamino)-4-oxopentyl] acetate?
[5-[1-(3,4-dichlorophenyl)cyclobutyl]-5-(dimethylamino)-4-oxopentyl] acetate has a molecular weight of 386.32 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(3,4-dichlorophenyl)cyclobutyl]-5-(dimethylamino)-4-oxopentyl] acetate is sourced from PubChem (CID 19823610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).