4-(4-tert-butyl-2-methylphenyl)-N'-methylbutanehydrazide

C16H26N2O — CID 116846533

IUPAC4-(4-tert-butyl-2-methylphenyl)-N'-methylbutanehydrazide
SMILESCNNC(=O)CCCc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C16H26N2O/c1-12-11-14(16(2,3)4)10-9-13(12)7-6-8-15(19)18-17-5/h9-11,17H,6-8H2,1-5H3,(H,18,19)
InChIKeySUALJGOHVPNOBX-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.87
Rot. Bonds5

About 4-(4-tert-butyl-2-methylphenyl)-N'-methylbutanehydrazide

4-(4-tert-butyl-2-methylphenyl)-N'-methylbutanehydrazide (PubChem CID 116846533) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(4-tert-butyl-2-methylphenyl)-N'-methylbutanehydrazide.

Molecular Properties

Compound Name4-(4-tert-butyl-2-methylphenyl)-N'-methylbutanehydrazide
PubChem CID116846533
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-(4-tert-butyl-2-methylphenyl)-N'-methylbutanehydrazide
SMILESCNNC(=O)CCCc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C16H26N2O/c1-12-11-14(16(2,3)4)10-9-13(12)7-6-8-15(19)18-17-5/h9-11,17H,6-8H2,1-5H3,(H,18,19)
InChIKeySUALJGOHVPNOBX-UHFFFAOYSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-tert-butyl-2-methylphenyl)butanoic acid
CID 82496433
N'-methyl-4-(2,3,4-trimethylphenyl)butanehydrazide
CID 116846569
N-[(4-tert-butyl-2-methylphenyl)methyl]-4-hydroxybutanamide
CID 115163000
N-[2-(4-tert-butyl-2-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140102
2-(4-tert-butyl-2-methylphenyl)ethylcarbamothioic S-acid
CID 115170312
2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846169
N-methyl-4-(2-methylphenyl)butanamide
CID 67667120
5-(2-methoxy-5-methylphenyl)-N'-methylpentanehydrazide
CID 116846603
N-[(4-tert-butyl-2-methylphenyl)methyl]-2-chloroacetamide
CID 115162010
N-[2-(4-tert-butyl-2-methylphenyl)ethyl]-1-cyanoformamide
CID 115172539
N-[(4-tert-butyl-2-methylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151986
2-amino-N-[2-(4-tert-butyl-2-methylphenyl)ethyl]propanamide
CID 115152518

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2-methylphenyl)-N'-methylbutanehydrazide?
The IUPAC name of 4-(4-tert-butyl-2-methylphenyl)-N'-methylbutanehydrazide (CID 116846533) is 4-(4-tert-butyl-2-methylphenyl)-N'-methylbutanehydrazide.
What is the SMILES notation for 4-(4-tert-butyl-2-methylphenyl)-N'-methylbutanehydrazide?
The canonical SMILES for 4-(4-tert-butyl-2-methylphenyl)-N'-methylbutanehydrazide is CNNC(=O)CCCc1ccc(C(C)(C)C)cc1C.
What is the InChIKey of 4-(4-tert-butyl-2-methylphenyl)-N'-methylbutanehydrazide?
The InChIKey is SUALJGOHVPNOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-11-14(16(2,3)4)10-9-13(12)7-6-8-15(19)18-17-5/h9-11,17H,6-8H2,1-5H3,(H,18,19).
What are the key properties of 4-(4-tert-butyl-2-methylphenyl)-N'-methylbutanehydrazide?
4-(4-tert-butyl-2-methylphenyl)-N'-methylbutanehydrazide has a molecular weight of 262.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2-methylphenyl)-N'-methylbutanehydrazide is sourced from PubChem (CID 116846533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).