N'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide

C16H26N2O2 — CID 4213436

IUPACN'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
SMILESCCCCNNC(=O)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C16H26N2O2/c1-5-6-9-17-18-16(19)11-20-15-10-13(4)7-8-14(15)12(2)3/h7-8,10,12,17H,5-6,9,11H2,1-4H3,(H,18,19)
InChIKeyIMXWTEAXTZUHME-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.92
Rot. Bonds8

About N'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide

N'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide (PubChem CID 4213436) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
PubChem CID4213436
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
SMILESCCCCNNC(=O)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C16H26N2O2/c1-5-6-9-17-18-16(19)11-20-15-10-13(4)7-8-14(15)12(2)3/h7-8,10,12,17H,5-6,9,11H2,1-4H3,(H,18,19)
InChIKeyIMXWTEAXTZUHME-UHFFFAOYSA-N
XLogP2.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 78759998
N-butyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 100559135
(2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
CID 7581934
N-[(E)-heptan-2-ylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 54784829
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
2,4-dimethyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 7600117
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propanoylphenoxy)acetohydrazide
CID 4811488
2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide
CID 5187756
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate
CID 55584646
N-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 100532072
N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112

Frequently Asked Questions

What is the IUPAC name of N'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide?
The IUPAC name of N'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide (CID 4213436) is N'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide.
What is the SMILES notation for N'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide?
The canonical SMILES for N'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide is CCCCNNC(=O)COc1cc(C)ccc1C(C)C.
What is the InChIKey of N'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide?
The InChIKey is IMXWTEAXTZUHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-6-9-17-18-16(19)11-20-15-10-13(4)7-8-14(15)12(2)3/h7-8,10,12,17H,5-6,9,11H2,1-4H3,(H,18,19).
What are the key properties of N'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide?
N'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide has a molecular weight of 278.40 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide is sourced from PubChem (CID 4213436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).