(2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide

C19H22N2O4 — CID 9297829

IUPAC(2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
SMILESCc1cccc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-13-8-7-9-14(2)18(13)25-15(3)19(23)21-20-17(22)12-24-16-10-5-4-6-11-16/h4-11,15H,12H2,1-3H3,(H,20,22)(H,21,23)/t15-/m0/s1
InChIKeyPTVGHNGITFEBJO-HNNXBMFYSA-N
MW342.40 g/mol
LogP2.30
Rot. Bonds6

About (2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide

(2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide (PubChem CID 9297829) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide.

Molecular Properties

Compound Name(2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
PubChem CID9297829
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
SMILESCc1cccc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-13-8-7-9-14(2)18(13)25-15(3)19(23)21-20-17(22)12-24-16-10-5-4-6-11-16/h4-11,15H,12H2,1-3H3,(H,20,22)(H,21,23)/t15-/m0/s1
InChIKeyPTVGHNGITFEBJO-HNNXBMFYSA-N
XLogP2.30
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2,6-dimethylphenoxy)-N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 9297891
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
CID 4951968
(2S)-2-(2,6-dimethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 9297781
propyl 4-[2-[2-[2-(2,6-dimethylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4958742
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4940013
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,6-dimethylphenoxy)propanehydrazide
CID 4958704
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 2210337
2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
CID 4961130
N'-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-2-methylbenzohydrazide
CID 9297840
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide
CID 3473295
2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
CID 17123595

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide?
The IUPAC name of (2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide (CID 9297829) is (2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide.
What is the SMILES notation for (2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide?
The canonical SMILES for (2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide is Cc1cccc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccccc1.
What is the InChIKey of (2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide?
The InChIKey is PTVGHNGITFEBJO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13-8-7-9-14(2)18(13)25-15(3)19(23)21-20-17(22)12-24-16-10-5-4-6-11-16/h4-11,15H,12H2,1-3H3,(H,20,22)(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide?
(2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide has a molecular weight of 342.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide is sourced from PubChem (CID 9297829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).