2-methoxyimino-N'-methyl-2-[2-(phenoxymethyl)phenyl]ethanimidamide

C17H19N3O2 — CID 139653553

IUPAC2-methoxyimino-N'-methyl-2-[2-(phenoxymethyl)phenyl]ethanimidamide
SMILESC/N=C(\N)C(=NOC)c1ccccc1COc1ccccc1
InChIInChI=1S/C17H19N3O2/c1-19-17(18)16(20-21-2)15-11-7-6-8-13(15)12-22-14-9-4-3-5-10-14/h3-11H,12H2,1-2H3,(H2,18,19)
InChIKeyGWCINIHZNHUFME-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.60
Rot. Bonds6

About 2-methoxyimino-N'-methyl-2-[2-(phenoxymethyl)phenyl]ethanimidamide

2-methoxyimino-N'-methyl-2-[2-(phenoxymethyl)phenyl]ethanimidamide (PubChem CID 139653553) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-methoxyimino-N'-methyl-2-[2-(phenoxymethyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-methoxyimino-N'-methyl-2-[2-(phenoxymethyl)phenyl]ethanimidamide
PubChem CID139653553
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-methoxyimino-N'-methyl-2-[2-(phenoxymethyl)phenyl]ethanimidamide
SMILESC/N=C(\N)C(=NOC)c1ccccc1COc1ccccc1
InChIInChI=1S/C17H19N3O2/c1-19-17(18)16(20-21-2)15-11-7-6-8-13(15)12-22-14-9-4-3-5-10-14/h3-11H,12H2,1-2H3,(H2,18,19)
InChIKeyGWCINIHZNHUFME-UHFFFAOYSA-N
XLogP2.60
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N'-ethyl-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]ethanimidamide
CID 139653538
(2E)-2-methoxyimino-2-[2-(phenoxymethyl)phenyl]acetaldehyde
CID 59317946
methyl (2E)-2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 18649055
methyl 2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 54461346
2-methoxyimino-2-[2-[(3-methylphenoxy)methyl]phenyl]acetyl chloride
CID 54063323
(2Z)-2-methoxyimino-N-methyl-2-[2-[(4-propan-2-yloxyphenoxy)methyl]phenyl]acetamide
CID 22419100
methyl 2-methoxyimino-2-[2-[(2-methoxyphenoxy)methyl]phenyl]acetate
CID 139669220
2-ethoxyimino-2-[2-(phenoxymethyl)phenyl]acetyl chloride
CID 54129940
(2E)-2-methoxyimino-N-methyl-2-[2-[(4-prop-2-ynoxyphenoxy)methyl]phenyl]acetamide
CID 22419093
methyl 2-[2-[[4-(2,2-dichloroethenyl)phenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 90795035
methyl (2Z)-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]acetate
CID 5472357
methyl 2-[2-[(3-formylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 142667829

Frequently Asked Questions

What is the IUPAC name of 2-methoxyimino-N'-methyl-2-[2-(phenoxymethyl)phenyl]ethanimidamide?
The IUPAC name of 2-methoxyimino-N'-methyl-2-[2-(phenoxymethyl)phenyl]ethanimidamide (CID 139653553) is 2-methoxyimino-N'-methyl-2-[2-(phenoxymethyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-methoxyimino-N'-methyl-2-[2-(phenoxymethyl)phenyl]ethanimidamide?
The canonical SMILES for 2-methoxyimino-N'-methyl-2-[2-(phenoxymethyl)phenyl]ethanimidamide is C/N=C(\N)C(=NOC)c1ccccc1COc1ccccc1.
What is the InChIKey of 2-methoxyimino-N'-methyl-2-[2-(phenoxymethyl)phenyl]ethanimidamide?
The InChIKey is GWCINIHZNHUFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-19-17(18)16(20-21-2)15-11-7-6-8-13(15)12-22-14-9-4-3-5-10-14/h3-11H,12H2,1-2H3,(H2,18,19).
What are the key properties of 2-methoxyimino-N'-methyl-2-[2-(phenoxymethyl)phenyl]ethanimidamide?
2-methoxyimino-N'-methyl-2-[2-(phenoxymethyl)phenyl]ethanimidamide has a molecular weight of 297.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyimino-N'-methyl-2-[2-(phenoxymethyl)phenyl]ethanimidamide is sourced from PubChem (CID 139653553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).