methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethenylphenyl]-N-hydroxycarbamate

C19H21NO4 — CID 129040587

IUPACmethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethenylphenyl]-N-hydroxycarbamate
SMILESC=Cc1cccc(COc2ccc(C)cc2C)c1N(O)C(=O)OC
InChIInChI=1S/C19H21NO4/c1-5-15-7-6-8-16(18(15)20(22)19(21)23-4)12-24-17-10-9-13(2)11-14(17)3/h5-11,22H,1,12H2,2-4H3
InChIKeyFNHLNJVJSAOANS-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.49
Rot. Bonds5

About methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethenylphenyl]-N-hydroxycarbamate

methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethenylphenyl]-N-hydroxycarbamate (PubChem CID 129040587) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethenylphenyl]-N-hydroxycarbamate.

Molecular Properties

Compound Namemethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethenylphenyl]-N-hydroxycarbamate
PubChem CID129040587
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethenylphenyl]-N-hydroxycarbamate
SMILESC=Cc1cccc(COc2ccc(C)cc2C)c1N(O)C(=O)OC
InChIInChI=1S/C19H21NO4/c1-5-15-7-6-8-16(18(15)20(22)19(21)23-4)12-24-17-10-9-13(2)11-14(17)3/h5-11,22H,1,12H2,2-4H3
InChIKeyFNHLNJVJSAOANS-UHFFFAOYSA-N
XLogP4.49
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-hydroxycarbamate
CID 129038801
methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]-N-hydroxycarbamate
CID 129039628
2-[(2,4-dimethylphenoxy)methyl]benzaldehyde
CID 19879846
methyl 2-amino-6-[(2,4-dimethylphenoxy)methyl]benzoate
CID 104825290
O-methyl N-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate
CID 129038738
methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-ethylphenyl]-N-hydroxycarbamate
CID 129038689
2-[(2,4-dimethylphenoxy)methyl]benzohydrazide
CID 63576319
methyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate
CID 121367533
O-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-methylphenyl]-N-hydroxycarbamothioate
CID 129039560
methyl N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamate
CID 126588191
O-methyl N-[2-ethenyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamothioate
CID 126515922
methyl 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoate
CID 121367532

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethenylphenyl]-N-hydroxycarbamate?
The IUPAC name of methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethenylphenyl]-N-hydroxycarbamate (CID 129040587) is methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethenylphenyl]-N-hydroxycarbamate.
What is the SMILES notation for methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethenylphenyl]-N-hydroxycarbamate?
The canonical SMILES for methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethenylphenyl]-N-hydroxycarbamate is C=Cc1cccc(COc2ccc(C)cc2C)c1N(O)C(=O)OC.
What is the InChIKey of methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethenylphenyl]-N-hydroxycarbamate?
The InChIKey is FNHLNJVJSAOANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-5-15-7-6-8-16(18(15)20(22)19(21)23-4)12-24-17-10-9-13(2)11-14(17)3/h5-11,22H,1,12H2,2-4H3.
What are the key properties of methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethenylphenyl]-N-hydroxycarbamate?
methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethenylphenyl]-N-hydroxycarbamate has a molecular weight of 327.38 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethenylphenyl]-N-hydroxycarbamate is sourced from PubChem (CID 129040587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).