2-(3-tert-butyl-4-methoxyphenyl)-N',N'-dimethylacetohydrazide

C15H24N2O2 — CID 116847423

IUPAC2-(3-tert-butyl-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
SMILESCOc1ccc(CC(=O)NN(C)C)cc1C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-15(2,3)12-9-11(7-8-13(12)19-6)10-14(18)16-17(4)5/h7-9H,10H2,1-6H3,(H,16,18)
InChIKeyDNZKCLVGOUDKTK-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.13
Rot. Bonds4

About 2-(3-tert-butyl-4-methoxyphenyl)-N',N'-dimethylacetohydrazide

2-(3-tert-butyl-4-methoxyphenyl)-N',N'-dimethylacetohydrazide (PubChem CID 116847423) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(3-tert-butyl-4-methoxyphenyl)-N',N'-dimethylacetohydrazide.

Molecular Properties

Compound Name2-(3-tert-butyl-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
PubChem CID116847423
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(3-tert-butyl-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
SMILESCOc1ccc(CC(=O)NN(C)C)cc1C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-15(2,3)12-9-11(7-8-13(12)19-6)10-14(18)16-17(4)5/h7-9H,10H2,1-6H3,(H,16,18)
InChIKeyDNZKCLVGOUDKTK-UHFFFAOYSA-N
XLogP2.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847432
methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
CID 82553687
methyl N-[(3-tert-butyl-4-methoxyphenyl)methyl]carbamate
CID 110780471
2-amino-N-[(3-tert-butyl-4-methoxyphenyl)methyl]acetamide
CID 96676289
N-[(3-tert-butyl-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 115139923
2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide
CID 115259966
1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea
CID 115168613
2-[(3-tert-butyl-4-methoxyphenyl)methoxy]acetohydrazide
CID 116845452
2-(3-tert-butyl-4-methoxyphenyl)ethylcarbamothioic S-acid
CID 115170243
2-(3-tert-butyl-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110767323
4-(3-tert-butyl-4-methoxyphenyl)butanoic acid
CID 57172546
1-[2-(3-tert-butyl-4-methoxyphenyl)ethylamino]propan-2-one
CID 115234974

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-4-methoxyphenyl)-N',N'-dimethylacetohydrazide?
The IUPAC name of 2-(3-tert-butyl-4-methoxyphenyl)-N',N'-dimethylacetohydrazide (CID 116847423) is 2-(3-tert-butyl-4-methoxyphenyl)-N',N'-dimethylacetohydrazide.
What is the SMILES notation for 2-(3-tert-butyl-4-methoxyphenyl)-N',N'-dimethylacetohydrazide?
The canonical SMILES for 2-(3-tert-butyl-4-methoxyphenyl)-N',N'-dimethylacetohydrazide is COc1ccc(CC(=O)NN(C)C)cc1C(C)(C)C.
What is the InChIKey of 2-(3-tert-butyl-4-methoxyphenyl)-N',N'-dimethylacetohydrazide?
The InChIKey is DNZKCLVGOUDKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)12-9-11(7-8-13(12)19-6)10-14(18)16-17(4)5/h7-9H,10H2,1-6H3,(H,16,18).
What are the key properties of 2-(3-tert-butyl-4-methoxyphenyl)-N',N'-dimethylacetohydrazide?
2-(3-tert-butyl-4-methoxyphenyl)-N',N'-dimethylacetohydrazide has a molecular weight of 264.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-4-methoxyphenyl)-N',N'-dimethylacetohydrazide is sourced from PubChem (CID 116847423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).