2-[(4-methoxy-2,3,6-trimethylphenyl)methoxy]-N-methylacetohydrazide

C14H22N2O3 — CID 116845415

IUPAC2-[(4-methoxy-2,3,6-trimethylphenyl)methoxy]-N-methylacetohydrazide
SMILESCOc1cc(C)c(COCC(=O)N(C)N)c(C)c1C
InChIInChI=1S/C14H22N2O3/c1-9-6-13(18-5)11(3)10(2)12(9)7-19-8-14(17)16(4)15/h6H,7-8,15H2,1-5H3
InChIKeyPZOLXPQXBUCDRS-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.47
Rot. Bonds5

About 2-[(4-methoxy-2,3,6-trimethylphenyl)methoxy]-N-methylacetohydrazide

2-[(4-methoxy-2,3,6-trimethylphenyl)methoxy]-N-methylacetohydrazide (PubChem CID 116845415) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[(4-methoxy-2,3,6-trimethylphenyl)methoxy]-N-methylacetohydrazide.

Molecular Properties

Compound Name2-[(4-methoxy-2,3,6-trimethylphenyl)methoxy]-N-methylacetohydrazide
PubChem CID116845415
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[(4-methoxy-2,3,6-trimethylphenyl)methoxy]-N-methylacetohydrazide
SMILESCOc1cc(C)c(COCC(=O)N(C)N)c(C)c1C
InChIInChI=1S/C14H22N2O3/c1-9-6-13(18-5)11(3)10(2)12(9)7-19-8-14(17)16(4)15/h6H,7-8,15H2,1-5H3
InChIKeyPZOLXPQXBUCDRS-UHFFFAOYSA-N
XLogP1.47
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,4-dimethylphenyl)methoxy]-N-methylacetohydrazide
CID 116845305
2-[(2-methoxyphenyl)methoxy]-N-methylacetohydrazide
CID 116845407
3-amino-3-(4,5-dimethoxy-2-methylphenyl)-N-methylpropanehydrazide
CID 116849248
2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]-N-methylacetohydrazide
CID 116845331
methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate
CID 115232995
N-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194169
2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]propanoic acid
CID 117041978
2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea
CID 115168578
N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-N-methylethanamine
CID 115259506
(4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide
CID 150791377
2-[(4-methoxy-2,3,6-trimethylphenyl)methyl]prop-2-enoic acid
CID 116866294
N'-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N'-methylmethanediamine
CID 115226303

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2,3,6-trimethylphenyl)methoxy]-N-methylacetohydrazide?
The IUPAC name of 2-[(4-methoxy-2,3,6-trimethylphenyl)methoxy]-N-methylacetohydrazide (CID 116845415) is 2-[(4-methoxy-2,3,6-trimethylphenyl)methoxy]-N-methylacetohydrazide.
What is the SMILES notation for 2-[(4-methoxy-2,3,6-trimethylphenyl)methoxy]-N-methylacetohydrazide?
The canonical SMILES for 2-[(4-methoxy-2,3,6-trimethylphenyl)methoxy]-N-methylacetohydrazide is COc1cc(C)c(COCC(=O)N(C)N)c(C)c1C.
What is the InChIKey of 2-[(4-methoxy-2,3,6-trimethylphenyl)methoxy]-N-methylacetohydrazide?
The InChIKey is PZOLXPQXBUCDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-6-13(18-5)11(3)10(2)12(9)7-19-8-14(17)16(4)15/h6H,7-8,15H2,1-5H3.
What are the key properties of 2-[(4-methoxy-2,3,6-trimethylphenyl)methoxy]-N-methylacetohydrazide?
2-[(4-methoxy-2,3,6-trimethylphenyl)methoxy]-N-methylacetohydrazide has a molecular weight of 266.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2,3,6-trimethylphenyl)methoxy]-N-methylacetohydrazide is sourced from PubChem (CID 116845415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).