N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide

C25H26N2O4 — CID 4951968

IUPACN'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)C(C)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H26N2O4/c1-17-8-7-9-18(2)24(17)30-16-23(28)26-27-25(29)19(3)31-22-14-12-21(13-15-22)20-10-5-4-6-11-20/h4-15,19H,16H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyZIUDDGCKZMNCEP-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.96
Rot. Bonds7

About N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide

N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide (PubChem CID 4951968) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
PubChem CID4951968
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)C(C)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H26N2O4/c1-17-8-7-9-18(2)24(17)30-16-23(28)26-27-25(29)19(3)31-22-14-12-21(13-15-22)20-10-5-4-6-11-20/h4-15,19H,16H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyZIUDDGCKZMNCEP-UHFFFAOYSA-N
XLogP3.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.96
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

(2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 9297829
(2R)-2-(2,6-dimethylphenoxy)-N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 9297891
(2R)-2-(4-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 42505067
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
CID 4952015
2-(2-methoxyphenoxy)-N'-[2-(4-phenylphenoxy)acetyl]propanehydrazide
CID 4943458
N'-[2-(2-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953840
2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 4940008
(2R)-2-(4-ethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
CID 9237786
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4940013
(2S)-2-(2,6-dimethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 9297781
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide
CID 3473295
4-methyl-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide
CID 4951976

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide?
The IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide (CID 4951968) is N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide.
What is the SMILES notation for N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide?
The canonical SMILES for N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide is Cc1cccc(C)c1OCC(=O)NNC(=O)C(C)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide?
The InChIKey is ZIUDDGCKZMNCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-17-8-7-9-18(2)24(17)30-16-23(28)26-27-25(29)19(3)31-22-14-12-21(13-15-22)20-10-5-4-6-11-20/h4-15,19H,16H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide?
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide has a molecular weight of 418.49 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide is sourced from PubChem (CID 4951968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).