2-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide

C19H29NO2 — CID 71967515

IUPAC2-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
SMILESCc1cc(C)c(CCNC(=O)C(C)C2CCOCC2)c(C)c1
InChIInChI=1S/C19H29NO2/c1-13-11-14(2)18(15(3)12-13)5-8-20-19(21)16(4)17-6-9-22-10-7-17/h11-12,16-17H,5-10H2,1-4H3,(H,20,21)
InChIKeyXCCZKMLLQOANJI-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.33
Rot. Bonds5

About 2-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide

2-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide (PubChem CID 71967515) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
PubChem CID71967515
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name2-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
SMILESCc1cc(C)c(CCNC(=O)C(C)C2CCOCC2)c(C)c1
InChIInChI=1S/C19H29NO2/c1-13-11-14(2)18(15(3)12-13)5-8-20-19(21)16(4)17-6-9-22-10-7-17/h11-12,16-17H,5-10H2,1-4H3,(H,20,21)
InChIKeyXCCZKMLLQOANJI-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide?
The IUPAC name of 2-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide (CID 71967515) is 2-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide?
The canonical SMILES for 2-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide is Cc1cc(C)c(CCNC(=O)C(C)C2CCOCC2)c(C)c1.
What is the InChIKey of 2-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide?
The InChIKey is XCCZKMLLQOANJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-13-11-14(2)18(15(3)12-13)5-8-20-19(21)16(4)17-6-9-22-10-7-17/h11-12,16-17H,5-10H2,1-4H3,(H,20,21).
What are the key properties of 2-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide?
2-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide has a molecular weight of 303.45 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 71967515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).