2-methoxyimino-N-methylidene-2-[2-[[2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenoxy]methyl]phenyl]acetamide

C22H24N2O5 — CID 54056159

IUPAC2-methoxyimino-N-methylidene-2-[2-[[2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenoxy]methyl]phenyl]acetamide
SMILESC=NC(=O)C(=NOC)c1ccccc1COc1ccc(C2(C)OCCO2)cc1C
InChIInChI=1S/C22H24N2O5/c1-15-13-17(22(2)28-11-12-29-22)9-10-19(15)27-14-16-7-5-6-8-18(16)20(24-26-4)21(25)23-3/h5-10,13H,3,11-12,14H2,1-2,4H3
InChIKeyLWKBQRYWTBBZKZ-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.37
Rot. Bonds7

About 2-methoxyimino-N-methylidene-2-[2-[[2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenoxy]methyl]phenyl]acetamide

2-methoxyimino-N-methylidene-2-[2-[[2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenoxy]methyl]phenyl]acetamide (PubChem CID 54056159) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-methoxyimino-N-methylidene-2-[2-[[2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenoxy]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxyimino-N-methylidene-2-[2-[[2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenoxy]methyl]phenyl]acetamide
PubChem CID54056159
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name2-methoxyimino-N-methylidene-2-[2-[[2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenoxy]methyl]phenyl]acetamide
SMILESC=NC(=O)C(=NOC)c1ccccc1COc1ccc(C2(C)OCCO2)cc1C
InChIInChI=1S/C22H24N2O5/c1-15-13-17(22(2)28-11-12-29-22)9-10-19(15)27-14-16-7-5-6-8-18(16)20(24-26-4)21(25)23-3/h5-10,13H,3,11-12,14H2,1-2,4H3
InChIKeyLWKBQRYWTBBZKZ-UHFFFAOYSA-N
XLogP3.37
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylideneacetamide
CID 18715723
methyl (2E)-2-[2-[(4-iodo-2-methylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 22864172
(2E)-2-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetyl chloride
CID 22878398
(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-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
(2E)-2-[2-[[4-(2,2-dibromoethenyl)-2-methylphenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 87558866
methyl 2-methoxyimino-2-[2-[(2-methoxyphenoxy)methyl]phenyl]acetate
CID 139669220
(1E)-3-hydroxy-1-methoxyimino-1-[2-[(2-methylphenoxy)methyl]phenyl]propan-2-one;iodoform
CID 172949121
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetohydrazide
CID 86584675
methyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate
CID 85386374
methyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate
CID 139669242

Frequently Asked Questions

What is the IUPAC name of 2-methoxyimino-N-methylidene-2-[2-[[2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenoxy]methyl]phenyl]acetamide?
The IUPAC name of 2-methoxyimino-N-methylidene-2-[2-[[2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenoxy]methyl]phenyl]acetamide (CID 54056159) is 2-methoxyimino-N-methylidene-2-[2-[[2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenoxy]methyl]phenyl]acetamide.
What is the SMILES notation for 2-methoxyimino-N-methylidene-2-[2-[[2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenoxy]methyl]phenyl]acetamide?
The canonical SMILES for 2-methoxyimino-N-methylidene-2-[2-[[2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenoxy]methyl]phenyl]acetamide is C=NC(=O)C(=NOC)c1ccccc1COc1ccc(C2(C)OCCO2)cc1C.
What is the InChIKey of 2-methoxyimino-N-methylidene-2-[2-[[2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenoxy]methyl]phenyl]acetamide?
The InChIKey is LWKBQRYWTBBZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-15-13-17(22(2)28-11-12-29-22)9-10-19(15)27-14-16-7-5-6-8-18(16)20(24-26-4)21(25)23-3/h5-10,13H,3,11-12,14H2,1-2,4H3.
What are the key properties of 2-methoxyimino-N-methylidene-2-[2-[[2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenoxy]methyl]phenyl]acetamide?
2-methoxyimino-N-methylidene-2-[2-[[2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenoxy]methyl]phenyl]acetamide has a molecular weight of 396.44 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyimino-N-methylidene-2-[2-[[2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenoxy]methyl]phenyl]acetamide is sourced from PubChem (CID 54056159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).