[2-acetamido-2-methyl-4-(1-methylpyrrol-2-yl)butyl] acetate

C14H22N2O3 — CID 23031284

IUPAC[2-acetamido-2-methyl-4-(1-methylpyrrol-2-yl)butyl] acetate
SMILESCC(=O)NC(C)(CCc1cccn1C)COC(C)=O
InChIInChI=1S/C14H22N2O3/c1-11(17)15-14(3,10-19-12(2)18)8-7-13-6-5-9-16(13)4/h5-6,9H,7-8,10H2,1-4H3,(H,15,17)
InChIKeyAPDQUSJIHZTDTI-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.42
Rot. Bonds6

About [2-acetamido-2-methyl-4-(1-methylpyrrol-2-yl)butyl] acetate

[2-acetamido-2-methyl-4-(1-methylpyrrol-2-yl)butyl] acetate (PubChem CID 23031284) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is [2-acetamido-2-methyl-4-(1-methylpyrrol-2-yl)butyl] acetate.

Molecular Properties

Compound Name[2-acetamido-2-methyl-4-(1-methylpyrrol-2-yl)butyl] acetate
PubChem CID23031284
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name[2-acetamido-2-methyl-4-(1-methylpyrrol-2-yl)butyl] acetate
SMILESCC(=O)NC(C)(CCc1cccn1C)COC(C)=O
InChIInChI=1S/C14H22N2O3/c1-11(17)15-14(3,10-19-12(2)18)8-7-13-6-5-9-16(13)4/h5-6,9H,7-8,10H2,1-4H3,(H,15,17)
InChIKeyAPDQUSJIHZTDTI-UHFFFAOYSA-N
XLogP1.42
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-acetamido-2-methyl-4-(1-methylpyrrol-2-yl)butyl] acetate?
The IUPAC name of [2-acetamido-2-methyl-4-(1-methylpyrrol-2-yl)butyl] acetate (CID 23031284) is [2-acetamido-2-methyl-4-(1-methylpyrrol-2-yl)butyl] acetate.
What is the SMILES notation for [2-acetamido-2-methyl-4-(1-methylpyrrol-2-yl)butyl] acetate?
The canonical SMILES for [2-acetamido-2-methyl-4-(1-methylpyrrol-2-yl)butyl] acetate is CC(=O)NC(C)(CCc1cccn1C)COC(C)=O.
What is the InChIKey of [2-acetamido-2-methyl-4-(1-methylpyrrol-2-yl)butyl] acetate?
The InChIKey is APDQUSJIHZTDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(17)15-14(3,10-19-12(2)18)8-7-13-6-5-9-16(13)4/h5-6,9H,7-8,10H2,1-4H3,(H,15,17).
What are the key properties of [2-acetamido-2-methyl-4-(1-methylpyrrol-2-yl)butyl] acetate?
[2-acetamido-2-methyl-4-(1-methylpyrrol-2-yl)butyl] acetate has a molecular weight of 266.34 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetamido-2-methyl-4-(1-methylpyrrol-2-yl)butyl] acetate is sourced from PubChem (CID 23031284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).