[5-[1-(4-chlorophenyl)cyclobutyl]-5-(dimethylamino)pentyl] acetate

C19H28ClNO2 — CID 19823638

IUPAC[5-[1-(4-chlorophenyl)cyclobutyl]-5-(dimethylamino)pentyl] acetate
SMILESCC(=O)OCCCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C19H28ClNO2/c1-15(22)23-14-5-4-7-18(21(2)3)19(12-6-13-19)16-8-10-17(20)11-9-16/h8-11,18H,4-7,12-14H2,1-3H3
InChIKeyJOSUNJGFQPDNAK-UHFFFAOYSA-N
MW337.89 g/mol
LogP4.43
Rot. Bonds8

About [5-[1-(4-chlorophenyl)cyclobutyl]-5-(dimethylamino)pentyl] acetate

[5-[1-(4-chlorophenyl)cyclobutyl]-5-(dimethylamino)pentyl] acetate (PubChem CID 19823638) has the molecular formula C19H28ClNO2 and a molecular weight of 337.89 g/mol. Its IUPAC name is [5-[1-(4-chlorophenyl)cyclobutyl]-5-(dimethylamino)pentyl] acetate.

Molecular Properties

Compound Name[5-[1-(4-chlorophenyl)cyclobutyl]-5-(dimethylamino)pentyl] acetate
PubChem CID19823638
Molecular FormulaC19H28ClNO2
Molecular Weight337.89 g/mol
Exact Mass337.18
IUPAC Name[5-[1-(4-chlorophenyl)cyclobutyl]-5-(dimethylamino)pentyl] acetate
SMILESCC(=O)OCCCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C19H28ClNO2/c1-15(22)23-14-5-4-7-18(21(2)3)19(12-6-13-19)16-8-10-17(20)11-9-16/h8-11,18H,4-7,12-14H2,1-3H3
InChIKeyJOSUNJGFQPDNAK-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate
CID 10493109
Acetic acid (3R,4S)-4-(4-chloro-phenyl)-1-methyl-piperidin-3-ylmethyl ester
CID 10731560
Acetic acid (R)-4-(4-chloro-phenyl)-1-methyl-piperidin-3-ylmethyl ester
CID 44301940
Ethyl 4-(4-chlorobenzyl)-1-cyclobutyl-4-piperidinecarboxylate
CID 23723386
Ethyl 1-[2-(4-chlorophenyl)-1-methylethyl]-4-(2-methoxyethyl)-4-piperidinecarboxylate
CID 45226263
[(3S,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate
CID 12972673
[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate
CID 15487168
5-[1-(3,4-Dichlorophenyl)cyclobutyl]-5-dimethylamino-4-oxopentyl acetate
CID 19823610
1-[1-(4-chlorophenyl)cyclobutyl]-5-ethoxy-N-methylpentan-1-amine
CID 19823622
N,N-dimethyl-1-[1-(4-chlorophenyl)cyclobutyl]3-methoxypropylamine
CID 19823628
1-[1-(4-chlorophenyl)cyclobutyl]-4-ethoxy-N,N-dimethylbutan-1-amine
CID 19823629
1-[1-(4-Chlorophenyl)cyclobutyl]-1-(dimethylamino)-5-methoxypentan-2-one
CID 19823641

Frequently Asked Questions

What is the IUPAC name of [5-[1-(4-chlorophenyl)cyclobutyl]-5-(dimethylamino)pentyl] acetate?
The IUPAC name of [5-[1-(4-chlorophenyl)cyclobutyl]-5-(dimethylamino)pentyl] acetate (CID 19823638) is [5-[1-(4-chlorophenyl)cyclobutyl]-5-(dimethylamino)pentyl] acetate.
What is the SMILES notation for [5-[1-(4-chlorophenyl)cyclobutyl]-5-(dimethylamino)pentyl] acetate?
The canonical SMILES for [5-[1-(4-chlorophenyl)cyclobutyl]-5-(dimethylamino)pentyl] acetate is CC(=O)OCCCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of [5-[1-(4-chlorophenyl)cyclobutyl]-5-(dimethylamino)pentyl] acetate?
The InChIKey is JOSUNJGFQPDNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClNO2/c1-15(22)23-14-5-4-7-18(21(2)3)19(12-6-13-19)16-8-10-17(20)11-9-16/h8-11,18H,4-7,12-14H2,1-3H3.
What are the key properties of [5-[1-(4-chlorophenyl)cyclobutyl]-5-(dimethylamino)pentyl] acetate?
[5-[1-(4-chlorophenyl)cyclobutyl]-5-(dimethylamino)pentyl] acetate has a molecular weight of 337.89 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(4-chlorophenyl)cyclobutyl]-5-(dimethylamino)pentyl] acetate is sourced from PubChem (CID 19823638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).