2-[(4-tert-butylphenyl)methoxy]-N'-methylacetohydrazide

C14H22N2O2 — CID 116846699

IUPAC2-[(4-tert-butylphenyl)methoxy]-N'-methylacetohydrazide
SMILESCNNC(=O)COCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)12-7-5-11(6-8-12)9-18-10-13(17)16-15-4/h5-8,15H,9-10H2,1-4H3,(H,16,17)
InChIKeyQFBGUGAJCDIRHM-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.75
Rot. Bonds5

About 2-[(4-tert-butylphenyl)methoxy]-N'-methylacetohydrazide

2-[(4-tert-butylphenyl)methoxy]-N'-methylacetohydrazide (PubChem CID 116846699) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methoxy]-N'-methylacetohydrazide.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methoxy]-N'-methylacetohydrazide
PubChem CID116846699
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[(4-tert-butylphenyl)methoxy]-N'-methylacetohydrazide
SMILESCNNC(=O)COCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)12-7-5-11(6-8-12)9-18-10-13(17)16-15-4/h5-8,15H,9-10H2,1-4H3,(H,16,17)
InChIKeyQFBGUGAJCDIRHM-UHFFFAOYSA-N
XLogP1.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.75
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

N'-methyl-2-[(4-propan-2-ylphenyl)methoxy]acetohydrazide
CID 116846698
2-(4-tert-butylphenoxy)-N'-methylacetohydrazide
CID 116820676
2-[(4-ethoxyphenyl)methoxy]-N'-methylacetohydrazide
CID 116846735
2-[(3,4-dimethylphenyl)methoxy]-N'-methylacetohydrazide
CID 116846700
2-[(3-bromo-4-methoxyphenyl)methoxy]-N'-methylacetohydrazide
CID 116846729
2-(4-tert-butylphenyl)-N-methylacetamide;molecular hydrogen
CID 176700295
N'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide
CID 116846784
2-(5-tert-butyl-2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846169
dimethyl 1-[4-[(4-tert-butylphenyl)methyl]phenyl]aziridine-2,3-dicarboxylate
CID 162489868
N',N'-dimethyl-2-[(4-methylphenyl)methoxy]acetohydrazide
CID 116847839
2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid
CID 69381817
2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
CID 66174585

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methoxy]-N'-methylacetohydrazide?
The IUPAC name of 2-[(4-tert-butylphenyl)methoxy]-N'-methylacetohydrazide (CID 116846699) is 2-[(4-tert-butylphenyl)methoxy]-N'-methylacetohydrazide.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methoxy]-N'-methylacetohydrazide?
The canonical SMILES for 2-[(4-tert-butylphenyl)methoxy]-N'-methylacetohydrazide is CNNC(=O)COCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methoxy]-N'-methylacetohydrazide?
The InChIKey is QFBGUGAJCDIRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)12-7-5-11(6-8-12)9-18-10-13(17)16-15-4/h5-8,15H,9-10H2,1-4H3,(H,16,17).
What are the key properties of 2-[(4-tert-butylphenyl)methoxy]-N'-methylacetohydrazide?
2-[(4-tert-butylphenyl)methoxy]-N'-methylacetohydrazide has a molecular weight of 250.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methoxy]-N'-methylacetohydrazide is sourced from PubChem (CID 116846699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).