(2Z)-N'-cyclohexyl-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)ethanimidamide

C15H21N3O3 — CID 177498957

IUPAC(2Z)-N'-cyclohexyl-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)ethanimidamide
SMILESCOc1ccc(C(=N/O)/C(=N/C2CCCCC2)NO)cc1
InChIInChI=1S/C15H21N3O3/c1-21-13-9-7-11(8-10-13)14(17-19)15(18-20)16-12-5-3-2-4-6-12/h7-10,12,19-20H,2-6H2,1H3,(H,16,18)/b17-14-
InChIKeyJHVGUCVYNNBNOW-VKAVYKQESA-N
MW291.35 g/mol
LogP2.58
Rot. Bonds4

About (2Z)-N'-cyclohexyl-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)ethanimidamide

(2Z)-N'-cyclohexyl-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)ethanimidamide (PubChem CID 177498957) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2Z)-N'-cyclohexyl-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)ethanimidamide.

Molecular Properties

Compound Name(2Z)-N'-cyclohexyl-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)ethanimidamide
PubChem CID177498957
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2Z)-N'-cyclohexyl-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)ethanimidamide
SMILESCOc1ccc(C(=N/O)/C(=N/C2CCCCC2)NO)cc1
InChIInChI=1S/C15H21N3O3/c1-21-13-9-7-11(8-10-13)14(17-19)15(18-20)16-12-5-3-2-4-6-12/h7-10,12,19-20H,2-6H2,1H3,(H,16,18)/b17-14-
InChIKeyJHVGUCVYNNBNOW-VKAVYKQESA-N
XLogP2.58
TPSA86.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (2Z)-N'-cyclohexyl-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)ethanimidamide?
The IUPAC name of (2Z)-N'-cyclohexyl-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)ethanimidamide (CID 177498957) is (2Z)-N'-cyclohexyl-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)ethanimidamide.
What is the SMILES notation for (2Z)-N'-cyclohexyl-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)ethanimidamide?
The canonical SMILES for (2Z)-N'-cyclohexyl-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)ethanimidamide is COc1ccc(C(=N/O)/C(=N/C2CCCCC2)NO)cc1.
What is the InChIKey of (2Z)-N'-cyclohexyl-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)ethanimidamide?
The InChIKey is JHVGUCVYNNBNOW-VKAVYKQESA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-13-9-7-11(8-10-13)14(17-19)15(18-20)16-12-5-3-2-4-6-12/h7-10,12,19-20H,2-6H2,1H3,(H,16,18)/b17-14-.
What are the key properties of (2Z)-N'-cyclohexyl-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)ethanimidamide?
(2Z)-N'-cyclohexyl-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)ethanimidamide has a molecular weight of 291.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N'-cyclohexyl-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)ethanimidamide is sourced from PubChem (CID 177498957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).