(2S)-2-(2,6-dimethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide

C22H28N2O4 — CID 9297781

IUPAC(2S)-2-(2,6-dimethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
SMILESCc1cccc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C22H28N2O4/c1-14(2)18-11-6-7-12-19(18)27-13-20(25)23-24-22(26)17(5)28-21-15(3)9-8-10-16(21)4/h6-12,14,17H,13H2,1-5H3,(H,23,25)(H,24,26)/t17-/m0/s1
InChIKeyZZLTZYLZYYVLOE-KRWDZBQOSA-N
MW384.48 g/mol
LogP3.42
Rot. Bonds7

About (2S)-2-(2,6-dimethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide

(2S)-2-(2,6-dimethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide (PubChem CID 9297781) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is (2S)-2-(2,6-dimethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide.

Molecular Properties

Compound Name(2S)-2-(2,6-dimethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
PubChem CID9297781
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(2S)-2-(2,6-dimethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
SMILESCc1cccc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C22H28N2O4/c1-14(2)18-11-6-7-12-19(18)27-13-20(25)23-24-22(26)17(5)28-21-15(3)9-8-10-16(21)4/h6-12,14,17H,13H2,1-5H3,(H,23,25)(H,24,26)/t17-/m0/s1
InChIKeyZZLTZYLZYYVLOE-KRWDZBQOSA-N
XLogP3.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.42
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
2-(4-bromo-2,6-dimethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
CID 4961130
2-(4-chlorophenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4944112
(2R)-2-(2,6-dimethylphenoxy)-N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 9297891
(2R)-2-(4-ethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 9237430
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,6-dimethylphenoxy)propanehydrazide
CID 4958704
N'-[2-(2-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953840
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
CID 4951968
2-(3-methylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 3493807
2-(2-butan-2-ylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)propanehydrazide
CID 17130032
N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,6-dimethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide?
The IUPAC name of (2S)-2-(2,6-dimethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide (CID 9297781) is (2S)-2-(2,6-dimethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide.
What is the SMILES notation for (2S)-2-(2,6-dimethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide?
The canonical SMILES for (2S)-2-(2,6-dimethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide is Cc1cccc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccccc1C(C)C.
What is the InChIKey of (2S)-2-(2,6-dimethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide?
The InChIKey is ZZLTZYLZYYVLOE-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-14(2)18-11-6-7-12-19(18)27-13-20(25)23-24-22(26)17(5)28-21-15(3)9-8-10-16(21)4/h6-12,14,17H,13H2,1-5H3,(H,23,25)(H,24,26)/t17-/m0/s1.
What are the key properties of (2S)-2-(2,6-dimethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide?
(2S)-2-(2,6-dimethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide has a molecular weight of 384.48 g/mol, XLogP of 3.42, 7 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-(2-propan-2-ylphenoxy)acetyl]propanehydrazide is sourced from PubChem (CID 9297781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).