2,4-dicyclohexyl-3-methoxybenzamide;hydrochloride

C20H30ClNO2 — CID 162099557

IUPAC2,4-dicyclohexyl-3-methoxybenzamide;hydrochloride
SMILESCOc1c(C2CCCCC2)ccc(C(N)=O)c1C1CCCCC1.Cl
InChIInChI=1S/C20H29NO2.ClH/c1-23-19-16(14-8-4-2-5-9-14)12-13-17(20(21)22)18(19)15-10-6-3-7-11-15;/h12-15H,2-11H2,1H3,(H2,21,22);1H
InChIKeyVPAOAVAKRVZZKW-UHFFFAOYSA-N
MW351.92 g/mol
LogP5.31
Rot. Bonds4

About 2,4-dicyclohexyl-3-methoxybenzamide;hydrochloride

2,4-dicyclohexyl-3-methoxybenzamide;hydrochloride (PubChem CID 162099557) has the molecular formula C20H30ClNO2 and a molecular weight of 351.92 g/mol. Its IUPAC name is 2,4-dicyclohexyl-3-methoxybenzamide;hydrochloride.

Molecular Properties

Compound Name2,4-dicyclohexyl-3-methoxybenzamide;hydrochloride
PubChem CID162099557
Molecular FormulaC20H30ClNO2
Molecular Weight351.92 g/mol
Exact Mass351.20
IUPAC Name2,4-dicyclohexyl-3-methoxybenzamide;hydrochloride
SMILESCOc1c(C2CCCCC2)ccc(C(N)=O)c1C1CCCCC1.Cl
InChIInChI=1S/C20H29NO2.ClH/c1-23-19-16(14-8-4-2-5-9-14)12-13-17(20(21)22)18(19)15-10-6-3-7-11-15;/h12-15H,2-11H2,1H3,(H2,21,22);1H
InChIKeyVPAOAVAKRVZZKW-UHFFFAOYSA-N
XLogP5.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.92
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dicyclohexyl-3-methoxybenzamide;hydrochloride?
The IUPAC name of 2,4-dicyclohexyl-3-methoxybenzamide;hydrochloride (CID 162099557) is 2,4-dicyclohexyl-3-methoxybenzamide;hydrochloride.
What is the SMILES notation for 2,4-dicyclohexyl-3-methoxybenzamide;hydrochloride?
The canonical SMILES for 2,4-dicyclohexyl-3-methoxybenzamide;hydrochloride is COc1c(C2CCCCC2)ccc(C(N)=O)c1C1CCCCC1.Cl.
What is the InChIKey of 2,4-dicyclohexyl-3-methoxybenzamide;hydrochloride?
The InChIKey is VPAOAVAKRVZZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2.ClH/c1-23-19-16(14-8-4-2-5-9-14)12-13-17(20(21)22)18(19)15-10-6-3-7-11-15;/h12-15H,2-11H2,1H3,(H2,21,22);1H.
What are the key properties of 2,4-dicyclohexyl-3-methoxybenzamide;hydrochloride?
2,4-dicyclohexyl-3-methoxybenzamide;hydrochloride has a molecular weight of 351.92 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dicyclohexyl-3-methoxybenzamide;hydrochloride is sourced from PubChem (CID 162099557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).