4-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-methoxyiminobutanamide

C20H24N2O3 — CID 174263459

IUPAC4-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-methoxyiminobutanamide
SMILESCON=C(CCc1ccccc1COc1c(C)cccc1C)C(N)=O
InChIInChI=1S/C20H24N2O3/c1-14-7-6-8-15(2)19(14)25-13-17-10-5-4-9-16(17)11-12-18(20(21)23)22-24-3/h4-10H,11-13H2,1-3H3,(H2,21,23)
InChIKeyUCPKUBMZHAATJX-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.30
Rot. Bonds8

About 4-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-methoxyiminobutanamide

4-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-methoxyiminobutanamide (PubChem CID 174263459) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-methoxyiminobutanamide.

Molecular Properties

Compound Name4-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-methoxyiminobutanamide
PubChem CID174263459
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-methoxyiminobutanamide
SMILESCON=C(CCc1ccccc1COc1c(C)cccc1C)C(N)=O
InChIInChI=1S/C20H24N2O3/c1-14-7-6-8-15(2)19(14)25-13-17-10-5-4-9-16(17)11-12-18(20(21)23)22-24-3/h4-10H,11-13H2,1-3H3,(H2,21,23)
InChIKeyUCPKUBMZHAATJX-UHFFFAOYSA-N
XLogP3.30
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.30
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'}

Analyze 4-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-methoxyiminobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-N-ethyl-2-methoxyiminoacetamide
CID 18983978
2-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-hydroxypropanamide
CID 123362351
2-[(2-methoxyphenyl)methoxy]-1,3-dimethylbenzene
CID 70895147
3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 43376384
methyl (2E)-2-[2-[[2-(2,2-dichloroethenyl)-6-methylphenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 87559356
[2-[(2,3-dimethylphenoxy)methyl]phenyl] 2-methoxyiminopropanoate
CID 54072573
(2E)-4-(6-fluoronaphthalen-2-yl)-2-methoxyiminobutanamide
CID 144811700
2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109832
(2-methoxy-3-methylphenyl)methyl hydrogen carbonate
CID 66777091
3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide
CID 91682780
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778
N-[C-[2-(2,6-dimethylphenoxy)-1-phenylethyl]-N-methoxycarbonimidoyl]acetamide
CID 174263460

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-methoxyiminobutanamide?
The IUPAC name of 4-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-methoxyiminobutanamide (CID 174263459) is 4-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-methoxyiminobutanamide.
What is the SMILES notation for 4-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-methoxyiminobutanamide?
The canonical SMILES for 4-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-methoxyiminobutanamide is CON=C(CCc1ccccc1COc1c(C)cccc1C)C(N)=O.
What is the InChIKey of 4-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-methoxyiminobutanamide?
The InChIKey is UCPKUBMZHAATJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-7-6-8-15(2)19(14)25-13-17-10-5-4-9-16(17)11-12-18(20(21)23)22-24-3/h4-10H,11-13H2,1-3H3,(H2,21,23).
What are the key properties of 4-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-methoxyiminobutanamide?
4-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-methoxyiminobutanamide has a molecular weight of 340.42 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-2-methoxyiminobutanamide is sourced from PubChem (CID 174263459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).