2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide

C15H21NO3 — CID 112611076

IUPAC2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1c(C)cccc1C=O
InChIInChI=1S/C15H21NO3/c1-5-15(3,4)16-13(18)10-19-14-11(2)7-6-8-12(14)9-17/h6-9H,5,10H2,1-4H3,(H,16,18)
InChIKeyIZYSVUHBSNKIGK-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.49
Rot. Bonds6

About 2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide

2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 112611076) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
PubChem CID112611076
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1c(C)cccc1C=O
InChIInChI=1S/C15H21NO3/c1-5-15(3,4)16-13(18)10-19-14-11(2)7-6-8-12(14)9-17/h6-9H,5,10H2,1-4H3,(H,16,18)
InChIKeyIZYSVUHBSNKIGK-UHFFFAOYSA-N
XLogP2.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.49
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

2-(2-formyl-6-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 115955536
2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 97179244
ethyl 2-(2-formyl-6-methylphenoxy)acetate
CID 57137176
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide
CID 9010002
2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486138
N-(2-fluorophenyl)-2-(2-formyl-6-methylphenoxy)acetamide
CID 115955575
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 115953315
2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 79844124
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2,3-dimethylbenzoate
CID 9079838
2-(2-formyl-6-methylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 112611070
N-cyclopropyl-N-ethyl-2-(2-formyl-6-methylphenoxy)acetamide
CID 112611155

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide (CID 112611076) is 2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)COc1c(C)cccc1C=O.
What is the InChIKey of 2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is IZYSVUHBSNKIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-5-15(3,4)16-13(18)10-19-14-11(2)7-6-8-12(14)9-17/h6-9H,5,10H2,1-4H3,(H,16,18).
What are the key properties of 2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide?
2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 112611076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).