[2-[acetyl(methyl)amino]-2-methylpropyl] 2-(2-methylphenyl)acetate

C16H23NO3 — CID 102404412

IUPAC[2-[acetyl(methyl)amino]-2-methylpropyl] 2-(2-methylphenyl)acetate
SMILESCC(=O)N(C)C(C)(C)COC(=O)Cc1ccccc1C
InChIInChI=1S/C16H23NO3/c1-12-8-6-7-9-14(12)10-15(19)20-11-16(3,4)17(5)13(2)18/h6-9H,10-11H2,1-5H3
InChIKeyXYVQYTQRGRJOGQ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.34
Rot. Bonds5

About [2-[acetyl(methyl)amino]-2-methylpropyl] 2-(2-methylphenyl)acetate

[2-[acetyl(methyl)amino]-2-methylpropyl] 2-(2-methylphenyl)acetate (PubChem CID 102404412) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [2-[acetyl(methyl)amino]-2-methylpropyl] 2-(2-methylphenyl)acetate.

Molecular Properties

Compound Name[2-[acetyl(methyl)amino]-2-methylpropyl] 2-(2-methylphenyl)acetate
PubChem CID102404412
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[2-[acetyl(methyl)amino]-2-methylpropyl] 2-(2-methylphenyl)acetate
SMILESCC(=O)N(C)C(C)(C)COC(=O)Cc1ccccc1C
InChIInChI=1S/C16H23NO3/c1-12-8-6-7-9-14(12)10-15(19)20-11-16(3,4)17(5)13(2)18/h6-9H,10-11H2,1-5H3
InChIKeyXYVQYTQRGRJOGQ-UHFFFAOYSA-N
XLogP2.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[acetyl(methyl)amino]-2-methylpropyl] 2-(2-methylphenyl)acetate?
The IUPAC name of [2-[acetyl(methyl)amino]-2-methylpropyl] 2-(2-methylphenyl)acetate (CID 102404412) is [2-[acetyl(methyl)amino]-2-methylpropyl] 2-(2-methylphenyl)acetate.
What is the SMILES notation for [2-[acetyl(methyl)amino]-2-methylpropyl] 2-(2-methylphenyl)acetate?
The canonical SMILES for [2-[acetyl(methyl)amino]-2-methylpropyl] 2-(2-methylphenyl)acetate is CC(=O)N(C)C(C)(C)COC(=O)Cc1ccccc1C.
What is the InChIKey of [2-[acetyl(methyl)amino]-2-methylpropyl] 2-(2-methylphenyl)acetate?
The InChIKey is XYVQYTQRGRJOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-8-6-7-9-14(12)10-15(19)20-11-16(3,4)17(5)13(2)18/h6-9H,10-11H2,1-5H3.
What are the key properties of [2-[acetyl(methyl)amino]-2-methylpropyl] 2-(2-methylphenyl)acetate?
[2-[acetyl(methyl)amino]-2-methylpropyl] 2-(2-methylphenyl)acetate has a molecular weight of 277.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[acetyl(methyl)amino]-2-methylpropyl] 2-(2-methylphenyl)acetate is sourced from PubChem (CID 102404412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).