2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-ethoxyiminoacetamide

C19H22N2O3 — CID 74017841

IUPAC2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-ethoxyiminoacetamide
SMILESCCON=C(C(N)=O)c1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C19H22N2O3/c1-4-24-21-18(19(20)22)16-8-6-5-7-15(16)12-23-17-11-13(2)9-10-14(17)3/h5-11H,4,12H2,1-3H3,(H2,20,22)
InChIKeyNDOWHIBGJIFRJE-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.11
Rot. Bonds7

About 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-ethoxyiminoacetamide

2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-ethoxyiminoacetamide (PubChem CID 74017841) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-ethoxyiminoacetamide.

Molecular Properties

Compound Name2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-ethoxyiminoacetamide
PubChem CID74017841
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-ethoxyiminoacetamide
SMILESCCON=C(C(N)=O)c1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C19H22N2O3/c1-4-24-21-18(19(20)22)16-8-6-5-7-15(16)12-23-17-11-13(2)9-10-14(17)3/h5-11H,4,12H2,1-3H3,(H2,20,22)
InChIKeyNDOWHIBGJIFRJE-UHFFFAOYSA-N
XLogP3.11
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetohydrazide
CID 86584675
(2Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylideneacetamide
CID 18715723
(2E)-2-ethoxyimino-2-(2-methylphenyl)acetamide
CID 155375401
(2Z)-2-ethoxyimino-2-(2-methylphenyl)acetamide
CID 155375402
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-oxoacetate
CID 11141051
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-hydroxy-2-oxoethanimidoyl chloride
CID 85386598
(2Z)-2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-ethoxyimino-N-methylacetamide
CID 22415752
methyl (Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]but-2-enoate
CID 11758709
(2E)-2-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetyl chloride
CID 22878398
2-ethoxyimino-2-[2-(phenoxymethyl)phenyl]acetyl chloride
CID 54129940
2-ethoxyimino-2-(2-phenoxyphenyl)acetamide
CID 73413307
2-chloro-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]acetic acid
CID 139703547

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-ethoxyiminoacetamide?
The IUPAC name of 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-ethoxyiminoacetamide (CID 74017841) is 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-ethoxyiminoacetamide.
What is the SMILES notation for 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-ethoxyiminoacetamide?
The canonical SMILES for 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-ethoxyiminoacetamide is CCON=C(C(N)=O)c1ccccc1COc1cc(C)ccc1C.
What is the InChIKey of 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-ethoxyiminoacetamide?
The InChIKey is NDOWHIBGJIFRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-24-21-18(19(20)22)16-8-6-5-7-15(16)12-23-17-11-13(2)9-10-14(17)3/h5-11H,4,12H2,1-3H3,(H2,20,22).
What are the key properties of 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-ethoxyiminoacetamide?
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-ethoxyiminoacetamide has a molecular weight of 326.40 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-ethoxyiminoacetamide is sourced from PubChem (CID 74017841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).