methyl 5-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]pentanoate;hydrochloride

C18H25Cl2NO3 — CID 71769911

IUPACmethyl 5-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]pentanoate;hydrochloride
SMILESCOC(=O)CCCCNC1(c2ccccc2Cl)CCCCC1=O.Cl
InChIInChI=1S/C18H24ClNO3.ClH/c1-23-17(22)11-5-7-13-20-18(12-6-4-10-16(18)21)14-8-2-3-9-15(14)19;/h2-3,8-9,20H,4-7,10-13H2,1H3;1H
InChIKeyWXBJRXSGJVAOFU-UHFFFAOYSA-N
MW374.31 g/mol
LogP4.03
Rot. Bonds7

About methyl 5-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]pentanoate;hydrochloride

methyl 5-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]pentanoate;hydrochloride (PubChem CID 71769911) has the molecular formula C18H25Cl2NO3 and a molecular weight of 374.31 g/mol. Its IUPAC name is methyl 5-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]pentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]pentanoate;hydrochloride
PubChem CID71769911
Molecular FormulaC18H25Cl2NO3
Molecular Weight374.31 g/mol
Exact Mass373.12
IUPAC Namemethyl 5-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]pentanoate;hydrochloride
SMILESCOC(=O)CCCCNC1(c2ccccc2Cl)CCCCC1=O.Cl
InChIInChI=1S/C18H24ClNO3.ClH/c1-23-17(22)11-5-7-13-20-18(12-6-4-10-16(18)21)14-8-2-3-9-15(14)19;/h2-3,8-9,20H,4-7,10-13H2,1H3;1H
InChIKeyWXBJRXSGJVAOFU-UHFFFAOYSA-N
XLogP4.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]pentanoate;hydrochloride?
The IUPAC name of methyl 5-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]pentanoate;hydrochloride (CID 71769911) is methyl 5-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]pentanoate;hydrochloride.
What is the SMILES notation for methyl 5-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]pentanoate;hydrochloride?
The canonical SMILES for methyl 5-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]pentanoate;hydrochloride is COC(=O)CCCCNC1(c2ccccc2Cl)CCCCC1=O.Cl.
What is the InChIKey of methyl 5-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]pentanoate;hydrochloride?
The InChIKey is WXBJRXSGJVAOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO3.ClH/c1-23-17(22)11-5-7-13-20-18(12-6-4-10-16(18)21)14-8-2-3-9-15(14)19;/h2-3,8-9,20H,4-7,10-13H2,1H3;1H.
What are the key properties of methyl 5-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]pentanoate;hydrochloride?
methyl 5-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]pentanoate;hydrochloride has a molecular weight of 374.31 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]pentanoate;hydrochloride is sourced from PubChem (CID 71769911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).