N'-(3-chlorophenyl)-2-(4-cyclohexylcyclohexyl)-N-hydroxyethanimidamide

C20H29ClN2O — CID 118569524

IUPACN'-(3-chlorophenyl)-2-(4-cyclohexylcyclohexyl)-N-hydroxyethanimidamide
SMILESON/C(CC1CCC(C2CCCCC2)CC1)=N\c1cccc(Cl)c1
InChIInChI=1S/C20H29ClN2O/c21-18-7-4-8-19(14-18)22-20(23-24)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h4,7-8,14-17,24H,1-3,5-6,9-13H2,(H,22,23)
InChIKeyINYJGXGUYHPZES-UHFFFAOYSA-N
MW348.92 g/mol
LogP6.13
Rot. Bonds4

About N'-(3-chlorophenyl)-2-(4-cyclohexylcyclohexyl)-N-hydroxyethanimidamide

N'-(3-chlorophenyl)-2-(4-cyclohexylcyclohexyl)-N-hydroxyethanimidamide (PubChem CID 118569524) has the molecular formula C20H29ClN2O and a molecular weight of 348.92 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-2-(4-cyclohexylcyclohexyl)-N-hydroxyethanimidamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-2-(4-cyclohexylcyclohexyl)-N-hydroxyethanimidamide
PubChem CID118569524
Molecular FormulaC20H29ClN2O
Molecular Weight348.92 g/mol
Exact Mass348.20
IUPAC NameN'-(3-chlorophenyl)-2-(4-cyclohexylcyclohexyl)-N-hydroxyethanimidamide
SMILESON/C(CC1CCC(C2CCCCC2)CC1)=N\c1cccc(Cl)c1
InChIInChI=1S/C20H29ClN2O/c21-18-7-4-8-19(14-18)22-20(23-24)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h4,7-8,14-17,24H,1-3,5-6,9-13H2,(H,22,23)
InChIKeyINYJGXGUYHPZES-UHFFFAOYSA-N
XLogP6.13
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.92
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-2-(4-cyclohexylcyclohexyl)-N-hydroxyethanimidamide?
The IUPAC name of N'-(3-chlorophenyl)-2-(4-cyclohexylcyclohexyl)-N-hydroxyethanimidamide (CID 118569524) is N'-(3-chlorophenyl)-2-(4-cyclohexylcyclohexyl)-N-hydroxyethanimidamide.
What is the SMILES notation for N'-(3-chlorophenyl)-2-(4-cyclohexylcyclohexyl)-N-hydroxyethanimidamide?
The canonical SMILES for N'-(3-chlorophenyl)-2-(4-cyclohexylcyclohexyl)-N-hydroxyethanimidamide is ON/C(CC1CCC(C2CCCCC2)CC1)=N\c1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-2-(4-cyclohexylcyclohexyl)-N-hydroxyethanimidamide?
The InChIKey is INYJGXGUYHPZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O/c21-18-7-4-8-19(14-18)22-20(23-24)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h4,7-8,14-17,24H,1-3,5-6,9-13H2,(H,22,23).
What are the key properties of N'-(3-chlorophenyl)-2-(4-cyclohexylcyclohexyl)-N-hydroxyethanimidamide?
N'-(3-chlorophenyl)-2-(4-cyclohexylcyclohexyl)-N-hydroxyethanimidamide has a molecular weight of 348.92 g/mol, XLogP of 6.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-2-(4-cyclohexylcyclohexyl)-N-hydroxyethanimidamide is sourced from PubChem (CID 118569524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).