3-(2,6-dimethylphenoxy)-N-methylpropanehydrazide

C12H18N2O2 — CID 116820445

IUPAC3-(2,6-dimethylphenoxy)-N-methylpropanehydrazide
SMILESCc1cccc(C)c1OCCC(=O)N(C)N
InChIInChI=1S/C12H18N2O2/c1-9-5-4-6-10(2)12(9)16-8-7-11(15)14(3)13/h4-6H,7-8,13H2,1-3H3
InChIKeyDKTSGCIGZYSHLQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.40
Rot. Bonds4

About 3-(2,6-dimethylphenoxy)-N-methylpropanehydrazide

3-(2,6-dimethylphenoxy)-N-methylpropanehydrazide (PubChem CID 116820445) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(2,6-dimethylphenoxy)-N-methylpropanehydrazide.

Molecular Properties

Compound Name3-(2,6-dimethylphenoxy)-N-methylpropanehydrazide
PubChem CID116820445
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(2,6-dimethylphenoxy)-N-methylpropanehydrazide
SMILESCc1cccc(C)c1OCCC(=O)N(C)N
InChIInChI=1S/C12H18N2O2/c1-9-5-4-6-10(2)12(9)16-8-7-11(15)14(3)13/h4-6H,7-8,13H2,1-3H3
InChIKeyDKTSGCIGZYSHLQ-UHFFFAOYSA-N
XLogP1.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze 3-(2,6-dimethylphenoxy)-N-methylpropanehydrazide 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

ethyl 3-(2,6-dimethylphenoxy)propanoate
CID 43173798
propyl 3-(2,6-dimethylphenoxy)propanoate
CID 78862887
2-[3-(dimethylamino)-3-oxopropoxy]-3-methylbenzoic acid
CID 54879270
2-[3-(2,6-dimethylphenoxy)propanoyl-propan-2-ylamino]acetic acid
CID 60831350
3-(2,6-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115772075
methyl 3-[3-(2,6-dimethylphenoxy)propanoylamino]-2-hydroxypropanoate
CID 103958083
(E)-3-[2-[3-(dimethylamino)-3-oxopropoxy]-3-methylphenyl]prop-2-enoic acid
CID 115957323
propyl 2-(2,6-dimethylphenoxy)acetate
CID 71628034
2-(2,6-dimethylphenoxy)acetic acid;ethyl 2-(2,6-dimethylphenoxy)acetate
CID 158433715
3-(2,6-dimethylphenoxy)propylurea
CID 119091227
N-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide
CID 16786452
N-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide
CID 16783456

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenoxy)-N-methylpropanehydrazide?
The IUPAC name of 3-(2,6-dimethylphenoxy)-N-methylpropanehydrazide (CID 116820445) is 3-(2,6-dimethylphenoxy)-N-methylpropanehydrazide.
What is the SMILES notation for 3-(2,6-dimethylphenoxy)-N-methylpropanehydrazide?
The canonical SMILES for 3-(2,6-dimethylphenoxy)-N-methylpropanehydrazide is Cc1cccc(C)c1OCCC(=O)N(C)N.
What is the InChIKey of 3-(2,6-dimethylphenoxy)-N-methylpropanehydrazide?
The InChIKey is DKTSGCIGZYSHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-5-4-6-10(2)12(9)16-8-7-11(15)14(3)13/h4-6H,7-8,13H2,1-3H3.
What are the key properties of 3-(2,6-dimethylphenoxy)-N-methylpropanehydrazide?
3-(2,6-dimethylphenoxy)-N-methylpropanehydrazide has a molecular weight of 222.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenoxy)-N-methylpropanehydrazide is sourced from PubChem (CID 116820445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).