N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide

C22H28N2O4 — CID 4952125

IUPACN'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C22H28N2O4/c1-14(2)19-11-6-16(5)12-20(19)27-13-21(25)23-24-22(26)17-7-9-18(10-8-17)28-15(3)4/h6-12,14-15H,13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyOYEVBUPBMVQPRC-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.75
Rot. Bonds7

About N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide

N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide (PubChem CID 4952125) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
PubChem CID4952125
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C22H28N2O4/c1-14(2)19-11-6-16(5)12-20(19)27-13-21(25)23-24-22(26)17-7-9-18(10-8-17)28-15(3)4/h6-12,14-15H,13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyOYEVBUPBMVQPRC-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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

N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propanoylphenoxy)acetohydrazide
CID 4811488
3,4-dimethoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4923561
2,4-dimethyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 7600117
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-pyrrol-1-ylbenzohydrazide
CID 24517670
3-iodo-4-methyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 3412471
(2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 9241041
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952085
4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 26821351
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952066
3-bromo-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propoxybenzohydrazide
CID 17342893
N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide
CID 26845933
N'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide
CID 4952087

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide?
The IUPAC name of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide (CID 4952125) is N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide is Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(OC(C)C)cc2)c1.
What is the InChIKey of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide?
The InChIKey is OYEVBUPBMVQPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-14(2)19-11-6-16(5)12-20(19)27-13-21(25)23-24-22(26)17-7-9-18(10-8-17)28-15(3)4/h6-12,14-15H,13H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide?
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide has a molecular weight of 384.48 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 4952125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).