N'-(3-chlorophenyl)-N-hydroxy-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]ethanimidamide

C17H25ClN2O2 — CID 118569515

IUPACN'-(3-chlorophenyl)-N-hydroxy-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]ethanimidamide
SMILESCC(C)(O)C1CCC(C/C(=N/c2cccc(Cl)c2)NO)CC1
InChIInChI=1S/C17H25ClN2O2/c1-17(2,21)13-8-6-12(7-9-13)10-16(20-22)19-15-5-3-4-14(18)11-15/h3-5,11-13,21-22H,6-10H2,1-2H3,(H,19,20)
InChIKeyKYFKRZLPDQJJEV-UHFFFAOYSA-N
MW324.85 g/mol
LogP4.32
Rot. Bonds4

About N'-(3-chlorophenyl)-N-hydroxy-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]ethanimidamide

N'-(3-chlorophenyl)-N-hydroxy-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]ethanimidamide (PubChem CID 118569515) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-hydroxy-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]ethanimidamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-hydroxy-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]ethanimidamide
PubChem CID118569515
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN'-(3-chlorophenyl)-N-hydroxy-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]ethanimidamide
SMILESCC(C)(O)C1CCC(C/C(=N/c2cccc(Cl)c2)NO)CC1
InChIInChI=1S/C17H25ClN2O2/c1-17(2,21)13-8-6-12(7-9-13)10-16(20-22)19-15-5-3-4-14(18)11-15/h3-5,11-13,21-22H,6-10H2,1-2H3,(H,19,20)
InChIKeyKYFKRZLPDQJJEV-UHFFFAOYSA-N
XLogP4.32
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)-N-hydroxy-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]ethanimidamide?
The IUPAC name of N'-(3-chlorophenyl)-N-hydroxy-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]ethanimidamide (CID 118569515) is N'-(3-chlorophenyl)-N-hydroxy-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]ethanimidamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-hydroxy-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]ethanimidamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-hydroxy-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]ethanimidamide is CC(C)(O)C1CCC(C/C(=N/c2cccc(Cl)c2)NO)CC1.
What is the InChIKey of N'-(3-chlorophenyl)-N-hydroxy-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]ethanimidamide?
The InChIKey is KYFKRZLPDQJJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-17(2,21)13-8-6-12(7-9-13)10-16(20-22)19-15-5-3-4-14(18)11-15/h3-5,11-13,21-22H,6-10H2,1-2H3,(H,19,20).
What are the key properties of N'-(3-chlorophenyl)-N-hydroxy-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]ethanimidamide?
N'-(3-chlorophenyl)-N-hydroxy-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]ethanimidamide has a molecular weight of 324.85 g/mol, XLogP of 4.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-hydroxy-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]ethanimidamide is sourced from PubChem (CID 118569515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).