3-(4-acetyl-5-methylfuran-2-yl)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]propanamide

C24H33NO3 — CID 31284246

IUPAC3-(4-acetyl-5-methylfuran-2-yl)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]propanamide
SMILESCC(=O)c1cc(CCC(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)oc1C
InChIInChI=1S/C24H33NO3/c1-15-12-19(24(5,6)7)13-16(2)21(15)10-11-25-23(27)9-8-20-14-22(17(3)26)18(4)28-20/h12-14H,8-11H2,1-7H3,(H,25,27)
InChIKeyRJQWKCQUCFROJP-UHFFFAOYSA-N
MW383.53 g/mol
LogP5.00
Rot. Bonds7

About 3-(4-acetyl-5-methylfuran-2-yl)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]propanamide

3-(4-acetyl-5-methylfuran-2-yl)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]propanamide (PubChem CID 31284246) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is 3-(4-acetyl-5-methylfuran-2-yl)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-acetyl-5-methylfuran-2-yl)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]propanamide
PubChem CID31284246
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name3-(4-acetyl-5-methylfuran-2-yl)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]propanamide
SMILESCC(=O)c1cc(CCC(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)oc1C
InChIInChI=1S/C24H33NO3/c1-15-12-19(24(5,6)7)13-16(2)21(15)10-11-25-23(27)9-8-20-14-22(17(3)26)18(4)28-20/h12-14H,8-11H2,1-7H3,(H,25,27)
InChIKeyRJQWKCQUCFROJP-UHFFFAOYSA-N
XLogP5.00
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-acetyl-5-methylfuran-2-yl)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)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 3-(4-acetyl-5-methylfuran-2-yl)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-acetyl-5-methylfuran-2-yl)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]propanamide (CID 31284246) is 3-(4-acetyl-5-methylfuran-2-yl)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-acetyl-5-methylfuran-2-yl)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-acetyl-5-methylfuran-2-yl)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]propanamide is CC(=O)c1cc(CCC(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)oc1C.
What is the InChIKey of 3-(4-acetyl-5-methylfuran-2-yl)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]propanamide?
The InChIKey is RJQWKCQUCFROJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-15-12-19(24(5,6)7)13-16(2)21(15)10-11-25-23(27)9-8-20-14-22(17(3)26)18(4)28-20/h12-14H,8-11H2,1-7H3,(H,25,27).
What are the key properties of 3-(4-acetyl-5-methylfuran-2-yl)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]propanamide?
3-(4-acetyl-5-methylfuran-2-yl)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]propanamide has a molecular weight of 383.53 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-5-methylfuran-2-yl)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 31284246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).