3-(2-methylpropoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide

C15H24N2O2 — CID 78873454

IUPAC3-(2-methylpropoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
SMILESCc1cc(C)c(NC(=O)CCOCC(C)C)c(C)n1
InChIInChI=1S/C15H24N2O2/c1-10(2)9-19-7-6-14(18)17-15-11(3)8-12(4)16-13(15)5/h8,10H,6-7,9H2,1-5H3,(H,17,18)
InChIKeyALLSZKQPGABEOF-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.01
Rot. Bonds6

About 3-(2-methylpropoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide

3-(2-methylpropoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide (PubChem CID 78873454) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
PubChem CID78873454
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(2-methylpropoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
SMILESCc1cc(C)c(NC(=O)CCOCC(C)C)c(C)n1
InChIInChI=1S/C15H24N2O2/c1-10(2)9-19-7-6-14(18)17-15-11(3)8-12(4)16-13(15)5/h8,10H,6-7,9H2,1-5H3,(H,17,18)
InChIKeyALLSZKQPGABEOF-UHFFFAOYSA-N
XLogP3.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide?
The IUPAC name of 3-(2-methylpropoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide (CID 78873454) is 3-(2-methylpropoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide is Cc1cc(C)c(NC(=O)CCOCC(C)C)c(C)n1.
What is the InChIKey of 3-(2-methylpropoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide?
The InChIKey is ALLSZKQPGABEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)9-19-7-6-14(18)17-15-11(3)8-12(4)16-13(15)5/h8,10H,6-7,9H2,1-5H3,(H,17,18).
What are the key properties of 3-(2-methylpropoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide?
3-(2-methylpropoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide is sourced from PubChem (CID 78873454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).