(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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Related Compounds

2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine
CID 14746266
phenyl N-cyclohexyl-4-methoxybenzenecarboximidate
CID 134920007
(2Z)-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)-N'-pentylethanimidamide
CID 137295692
1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine
CID 116511370
1-(1-cyclohexylethenyl)-4-methoxybenzene
CID 122206167
N-cyclohexyl-2-(4-methoxyphenyl)-2-oxoacetamide
CID 11414317
(NZ)-N-[(4-methoxyphenyl)-(2-methylaziridin-1-yl)methylidene]hydroxylamine
CID 177403154
N'-cyclohexyl-2-(4-methoxyanilino)-N-(4-methoxyphenyl)pentanimidamide
CID 101272728
2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone
CID 2404150
1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine
CID 23627147
N-cyclohexyl-N-cyclopropyl-4-methoxybenzamide;methyl acetate
CID 143724469
N-hydroxy-4-methoxybenzenecarbothioamide
CID 12637483

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).