N'-[2-(2,4-dimethylphenoxy)acetyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetohydrazide

C23H30N2O4 — CID 17093328

IUPACN'-[2-(2,4-dimethylphenoxy)acetyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetohydrazide
SMILESCCC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C)cc2C)cc1
InChIInChI=1S/C23H30N2O4/c1-6-23(4,5)18-8-10-19(11-9-18)28-14-21(26)24-25-22(27)15-29-20-12-7-16(2)13-17(20)3/h7-13H,6,14-15H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyYZRJWSPFWYJODN-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.60
Rot. Bonds8

About N'-[2-(2,4-dimethylphenoxy)acetyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetohydrazide

N'-[2-(2,4-dimethylphenoxy)acetyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetohydrazide (PubChem CID 17093328) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N'-[2-(2,4-dimethylphenoxy)acetyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dimethylphenoxy)acetyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetohydrazide
PubChem CID17093328
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN'-[2-(2,4-dimethylphenoxy)acetyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetohydrazide
SMILESCCC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C)cc2C)cc1
InChIInChI=1S/C23H30N2O4/c1-6-23(4,5)18-8-10-19(11-9-18)28-14-21(26)24-25-22(27)15-29-20-12-7-16(2)13-17(20)3/h7-13H,6,14-15H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyYZRJWSPFWYJODN-UHFFFAOYSA-N
XLogP3.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.60
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

2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide
CID 4945068
N-(2,4-dimethylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093188
4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 4500599
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dimethylphenoxy)acetohydrazide
CID 4922319
N'-[2-(2,4-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353575
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 46761744
N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 965412
N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]hexanehydrazide
CID 17093425
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909269
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dimethylphenoxy)acetyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetohydrazide?
The IUPAC name of N'-[2-(2,4-dimethylphenoxy)acetyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetohydrazide (CID 17093328) is N'-[2-(2,4-dimethylphenoxy)acetyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetohydrazide.
What is the SMILES notation for N'-[2-(2,4-dimethylphenoxy)acetyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetohydrazide?
The canonical SMILES for N'-[2-(2,4-dimethylphenoxy)acetyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetohydrazide is CCC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C)cc2C)cc1.
What is the InChIKey of N'-[2-(2,4-dimethylphenoxy)acetyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetohydrazide?
The InChIKey is YZRJWSPFWYJODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-6-23(4,5)18-8-10-19(11-9-18)28-14-21(26)24-25-22(27)15-29-20-12-7-16(2)13-17(20)3/h7-13H,6,14-15H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(2,4-dimethylphenoxy)acetyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetohydrazide?
N'-[2-(2,4-dimethylphenoxy)acetyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetohydrazide has a molecular weight of 398.50 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dimethylphenoxy)acetyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetohydrazide is sourced from PubChem (CID 17093328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).