2-(2-butan-2-ylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide

C22H28N2O4 — CID 17129993

IUPAC2-(2-butan-2-ylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
SMILESCCC(C)c1ccccc1OC(C)C(=O)NNC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C22H28N2O4/c1-5-15(2)19-8-6-7-9-20(19)28-16(3)22(26)24-23-21(25)14-17-10-12-18(27-4)13-11-17/h6-13,15-16H,5,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyZIIRMEMLFOUDCF-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.37
Rot. Bonds8

About 2-(2-butan-2-ylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide

2-(2-butan-2-ylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide (PubChem CID 17129993) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
PubChem CID17129993
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-(2-butan-2-ylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
SMILESCCC(C)c1ccccc1OC(C)C(=O)NNC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C22H28N2O4/c1-5-15(2)19-8-6-7-9-20(19)28-16(3)22(26)24-23-21(25)14-17-10-12-18(27-4)13-11-17/h6-13,15-16H,5,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyZIIRMEMLFOUDCF-UHFFFAOYSA-N
XLogP3.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.37
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-(2-butan-2-ylphenoxy)-N'-(2-phenylacetyl)propanehydrazide
CID 17129998
2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide
CID 17130025
2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide
CID 17129978
(2R)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 9237453
(2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927347
(2S)-2-(4-ethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
CID 9237683
2-(4-ethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
CID 4953442
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
propyl 4-[2-[2-[2-(2-butan-2-ylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 17130058
2-(4-ethylphenoxy)-N'-(2-phenylacetyl)propanehydrazide
CID 4953447
2-(2,3-dimethylphenoxy)-N'-[2-(4-ethoxyphenyl)acetyl]propanehydrazide
CID 78780492

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide (CID 17129993) is 2-(2-butan-2-ylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide is CCC(C)c1ccccc1OC(C)C(=O)NNC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide?
The InChIKey is ZIIRMEMLFOUDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-15(2)19-8-6-7-9-20(19)28-16(3)22(26)24-23-21(25)14-17-10-12-18(27-4)13-11-17/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-(4-methoxyphenyl)acetyl]propanehydrazide?
2-(2-butan-2-ylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide has a molecular weight of 384.48 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide is sourced from PubChem (CID 17129993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).