N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide

C25H34N2O3 — CID 54782202

IUPACN'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)C(C)c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C25H34N2O3/c1-16(2)13-20-8-10-21(11-9-20)19(6)25(29)27-26-24(28)15-30-23-14-18(5)7-12-22(23)17(3)4/h7-12,14,16-17,19H,13,15H2,1-6H3,(H,26,28)(H,27,29)
InChIKeyMDJYKONYVNNPJJ-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.65
Rot. Bonds8

About N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide

N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide (PubChem CID 54782202) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide.

Molecular Properties

Compound NameN'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
PubChem CID54782202
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)C(C)c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C25H34N2O3/c1-16(2)13-20-8-10-21(11-9-20)19(6)25(29)27-26-24(28)15-30-23-14-18(5)7-12-22(23)17(3)4/h7-12,14,16-17,19H,13,15H2,1-6H3,(H,26,28)(H,27,29)
InChIKeyMDJYKONYVNNPJJ-UHFFFAOYSA-N
XLogP4.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 9241041
N'-[2-(2-chlorophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782216
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782133
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782220
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782147
2-(3,4-dichlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 2434922
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
N'-[2-(4-bromophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782165
2,4-dimethyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 7600117
2-(2-chlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 24537782
2-(2-methoxyphenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 35001550
N'-(3-ethoxypropanoyl)-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782231

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
The IUPAC name of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide (CID 54782202) is N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide.
What is the SMILES notation for N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
The canonical SMILES for N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide is Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)C(C)c2ccc(CC(C)C)cc2)c1.
What is the InChIKey of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
The InChIKey is MDJYKONYVNNPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-16(2)13-20-8-10-21(11-9-20)19(6)25(29)27-26-24(28)15-30-23-14-18(5)7-12-22(23)17(3)4/h7-12,14,16-17,19H,13,15H2,1-6H3,(H,26,28)(H,27,29).
What are the key properties of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide?
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide has a molecular weight of 410.56 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide is sourced from PubChem (CID 54782202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).