N-tert-butyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide

C15H21NO3 — CID 7696240

IUPACN-tert-butyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
SMILESCc1cc(C=O)cc(C)c1OCC(=O)NC(C)(C)C
InChIInChI=1S/C15H21NO3/c1-10-6-12(8-17)7-11(2)14(10)19-9-13(18)16-15(3,4)5/h6-8H,9H2,1-5H3,(H,16,18)
InChIKeyAXQVXOQEAOJEFH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.41
Rot. Bonds4

About N-tert-butyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide

N-tert-butyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide (PubChem CID 7696240) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-tert-butyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
PubChem CID7696240
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-tert-butyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
SMILESCc1cc(C=O)cc(C)c1OCC(=O)NC(C)(C)C
InChIInChI=1S/C15H21NO3/c1-10-6-12(8-17)7-11(2)14(10)19-9-13(18)16-15(3,4)5/h6-8H,9H2,1-5H3,(H,16,18)
InChIKeyAXQVXOQEAOJEFH-UHFFFAOYSA-N
XLogP2.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide
CID 43276736
2-(4-formyl-2,6-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7696271
N-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 26054636
2-(4-formyl-2,6-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60627472
2-[2-(tert-butylamino)-2-oxoethoxy]-3,5-dimethylbenzenesulfonyl chloride
CID 82911939
N-[2,6-di(propan-2-yl)phenyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696232
N-(1-hydroxy-2-methylpropan-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 43390532
N-benzhydryl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696105
4-(2-hydroxy-2-methylpropoxy)-3,5-dimethylbenzaldehyde
CID 60884438
N-[2-(4-chlorophenyl)ethyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696214
2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 7696129
2-(3-amino-2,6-dimethylphenoxy)-N-tert-butylacetamide
CID 62018129

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-tert-butyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide (CID 7696240) is N-tert-butyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-tert-butyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide is Cc1cc(C=O)cc(C)c1OCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
The InChIKey is AXQVXOQEAOJEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-6-12(8-17)7-11(2)14(10)19-9-13(18)16-15(3,4)5/h6-8H,9H2,1-5H3,(H,16,18).
What are the key properties of N-tert-butyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
N-tert-butyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide has a molecular weight of 263.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 7696240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).