2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide

C22H28N2O5 — CID 17130025

IUPAC2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide
SMILESCCC(C)c1ccccc1OC(C)C(=O)NNC(=O)COc1ccccc1OC
InChIInChI=1S/C22H28N2O5/c1-5-15(2)17-10-6-7-11-18(17)29-16(3)22(26)24-23-21(25)14-28-20-13-9-8-12-19(20)27-4/h6-13,15-16H,5,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyFWNYERUHTPDUCV-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.20
Rot. Bonds9

About 2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide

2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide (PubChem CID 17130025) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide
PubChem CID17130025
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Name2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide
SMILESCCC(C)c1ccccc1OC(C)C(=O)NNC(=O)COc1ccccc1OC
InChIInChI=1S/C22H28N2O5/c1-5-15(2)17-10-6-7-11-18(17)29-16(3)22(26)24-23-21(25)14-28-20-13-9-8-12-19(20)27-4/h6-13,15-16H,5,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyFWNYERUHTPDUCV-UHFFFAOYSA-N
XLogP3.20
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.20
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

2-(2-butan-2-ylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)propanehydrazide
CID 17130032
N'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 17130050
2-(2-butan-2-ylphenoxy)-N'-(2-phenylacetyl)propanehydrazide
CID 17129998
2-(2-butan-2-ylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
CID 17129993
(2R)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 9237453
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 54781417
2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide
CID 17129978
propyl 4-[2-[2-[2-(2-butan-2-ylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 17130058
(2R)-N'-[2-(2-methoxyphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 9206073
2-(2-butan-2-ylphenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]butanehydrazide
CID 17150806
2-(2-methoxyphenoxy)-N'-[2-(4-phenylphenoxy)acetyl]propanehydrazide
CID 4943458
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-methoxyphenoxy)propanehydrazide
CID 4943310

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide (CID 17130025) is 2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide is CCC(C)c1ccccc1OC(C)C(=O)NNC(=O)COc1ccccc1OC.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide?
The InChIKey is FWNYERUHTPDUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-5-15(2)17-10-6-7-11-18(17)29-16(3)22(26)24-23-21(25)14-28-20-13-9-8-12-19(20)27-4/h6-13,15-16H,5,14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide?
2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide has a molecular weight of 400.48 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide is sourced from PubChem (CID 17130025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).