2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide

C21H26N2O5 — CID 4984397

IUPAC2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
SMILESCOc1ccccc1OCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H26N2O5/c1-21(2,3)15-9-11-16(12-10-15)27-13-19(24)22-23-20(25)14-28-18-8-6-5-7-17(18)26-4/h5-12H,13-14H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyPSVRCHKCSMFUIY-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.60
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide

2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide (PubChem CID 4984397) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
PubChem CID4984397
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
SMILESCOc1ccccc1OCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H26N2O5/c1-21(2,3)15-9-11-16(12-10-15)27-13-19(24)22-23-20(25)14-28-18-8-6-5-7-17(18)26-4/h5-12H,13-14H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyPSVRCHKCSMFUIY-UHFFFAOYSA-N
XLogP2.60
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(2-methoxyphenyl)urea
CID 2983049
N'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide
CID 8506530
N'-[2-(2-methoxyphenoxy)acetyl]-4-(2-phenoxyethoxy)benzohydrazide
CID 4952895
1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide
CID 3322788
N-tert-butyl-2-(2-methoxyphenoxy)acetamide
CID 922262
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
2-(4-tert-butylphenoxy)-N'-methylacetohydrazide
CID 116820676
(3R)-3-(4-tert-butylphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7045026
3-(4-tert-butylphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 3992171
2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide
CID 4945068
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide
CID 8505175

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide (CID 4984397) is 2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide is COc1ccccc1OCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide?
The InChIKey is PSVRCHKCSMFUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-21(2,3)15-9-11-16(12-10-15)27-13-19(24)22-23-20(25)14-28-18-8-6-5-7-17(18)26-4/h5-12H,13-14H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide?
2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide has a molecular weight of 386.45 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 4984397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).