(2E)-2-hydroxyimino-N-methyl-2-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]acetamide

C18H20N2O3 — CID 172989196

IUPAC(2E)-2-hydroxyimino-N-methyl-2-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]acetamide
SMILESCNC(=O)/C(=N/O)c1c(C)cccc1COc1ccccc1C
InChIInChI=1S/C18H20N2O3/c1-12-7-4-5-10-15(12)23-11-14-9-6-8-13(2)16(14)17(20-22)18(21)19-3/h4-10,22H,11H2,1-3H3,(H,19,21)/b20-17+
InChIKeyKAVGXSYRSQQVPR-LVZFUZTISA-N
MW312.37 g/mol
LogP2.81
Rot. Bonds5

About (2E)-2-hydroxyimino-N-methyl-2-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]acetamide

(2E)-2-hydroxyimino-N-methyl-2-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]acetamide (PubChem CID 172989196) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-N-methyl-2-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]acetamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-N-methyl-2-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]acetamide
PubChem CID172989196
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(2E)-2-hydroxyimino-N-methyl-2-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]acetamide
SMILESCNC(=O)/C(=N/O)c1c(C)cccc1COc1ccccc1C
InChIInChI=1S/C18H20N2O3/c1-12-7-4-5-10-15(12)23-11-14-9-6-8-13(2)16(14)17(20-22)18(21)19-3/h4-10,22H,11H2,1-3H3,(H,19,21)/b20-17+
InChIKeyKAVGXSYRSQQVPR-LVZFUZTISA-N
XLogP2.81
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
methyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate
CID 85386374
N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide
CID 54096799
2-amino-6-[(2-methylphenoxy)methyl]benzoic acid
CID 104825317
2-methoxyimino-N-methyl-2-[2-[2-(2-methylphenoxy)ethyl]phenyl]acetamide
CID 150692604
methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352
(2E)-2-[2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 59898777
(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride
CID 15300766
(2Z)-2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-ethoxyimino-N-methylacetamide
CID 22415752
1-(dimethylamino)-3-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]urea
CID 139712771
methyl N-methyl-N-[2-[(2-methylphenoxy)methyl]phenyl]carbamate
CID 20667664
3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63073600

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-N-methyl-2-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]acetamide?
The IUPAC name of (2E)-2-hydroxyimino-N-methyl-2-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]acetamide (CID 172989196) is (2E)-2-hydroxyimino-N-methyl-2-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]acetamide.
What is the SMILES notation for (2E)-2-hydroxyimino-N-methyl-2-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]acetamide?
The canonical SMILES for (2E)-2-hydroxyimino-N-methyl-2-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]acetamide is CNC(=O)/C(=N/O)c1c(C)cccc1COc1ccccc1C.
What is the InChIKey of (2E)-2-hydroxyimino-N-methyl-2-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]acetamide?
The InChIKey is KAVGXSYRSQQVPR-LVZFUZTISA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-7-4-5-10-15(12)23-11-14-9-6-8-13(2)16(14)17(20-22)18(21)19-3/h4-10,22H,11H2,1-3H3,(H,19,21)/b20-17+.
What are the key properties of (2E)-2-hydroxyimino-N-methyl-2-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]acetamide?
(2E)-2-hydroxyimino-N-methyl-2-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-N-methyl-2-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]acetamide is sourced from PubChem (CID 172989196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).