2-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]propanamide

C15H23NO2 — CID 113101086

IUPAC2-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]propanamide
SMILESCc1ccc(C)c(OCCNC(=O)C(C)C)c1C
InChIInChI=1S/C15H23NO2/c1-10(2)15(17)16-8-9-18-14-12(4)7-6-11(3)13(14)5/h6-7,10H,8-9H2,1-5H3,(H,16,17)
InChIKeyIZZFDPMZRKIGRW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.76
Rot. Bonds5

About 2-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]propanamide

2-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]propanamide (PubChem CID 113101086) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]propanamide
PubChem CID113101086
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]propanamide
SMILESCc1ccc(C)c(OCCNC(=O)C(C)C)c1C
InChIInChI=1S/C15H23NO2/c1-10(2)15(17)16-8-9-18-14-12(4)7-6-11(3)13(14)5/h6-7,10H,8-9H2,1-5H3,(H,16,17)
InChIKeyIZZFDPMZRKIGRW-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpropyl)-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974246
2-phenyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101115
1-[(2-methylphenyl)methyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974267
1-[2-(dimethylamino)ethyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974258
1-cyclopropyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974243
1-benzyl-1-propan-2-yl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974315
3-methyl-1-(2,3,6-trimethylphenoxy)butan-2-one
CID 79395306
2-(3-bromophenyl)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101145
4-methoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide
CID 113101108
2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101131
2-methyl-5-(2,3,6-trimethylphenoxy)pentanoic acid
CID 112511441
1-methyl-1-phenyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974328

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]propanamide (CID 113101086) is 2-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]propanamide is Cc1ccc(C)c(OCCNC(=O)C(C)C)c1C.
What is the InChIKey of 2-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]propanamide?
The InChIKey is IZZFDPMZRKIGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)15(17)16-8-9-18-14-12(4)7-6-11(3)13(14)5/h6-7,10H,8-9H2,1-5H3,(H,16,17).
What are the key properties of 2-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]propanamide?
2-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]propanamide has a molecular weight of 249.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]propanamide is sourced from PubChem (CID 113101086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).