2-(5-dodecyl-1,2-oxazol-3-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide

C28H44N2O5 — CID 10743615

IUPAC2-(5-dodecyl-1,2-oxazol-3-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide
SMILESCCCCCCCCCCCCc1cc(C(C)(C)C(=O)Nc2c(OC)cc(OC)cc2OC)no1
InChIInChI=1S/C28H44N2O5/c1-7-8-9-10-11-12-13-14-15-16-17-21-20-25(30-35-21)28(2,3)27(31)29-26-23(33-5)18-22(32-4)19-24(26)34-6/h18-20H,7-17H2,1-6H3,(H,29,31)
InChIKeyYINPBEFKYREDFO-UHFFFAOYSA-N
MW488.67 g/mol
LogP7.08
Rot. Bonds17

About 2-(5-dodecyl-1,2-oxazol-3-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide

2-(5-dodecyl-1,2-oxazol-3-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide (PubChem CID 10743615) has the molecular formula C28H44N2O5 and a molecular weight of 488.67 g/mol. Its IUPAC name is 2-(5-dodecyl-1,2-oxazol-3-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(5-dodecyl-1,2-oxazol-3-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide
PubChem CID10743615
Molecular FormulaC28H44N2O5
Molecular Weight488.67 g/mol
Exact Mass488.33
IUPAC Name2-(5-dodecyl-1,2-oxazol-3-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide
SMILESCCCCCCCCCCCCc1cc(C(C)(C)C(=O)Nc2c(OC)cc(OC)cc2OC)no1
InChIInChI=1S/C28H44N2O5/c1-7-8-9-10-11-12-13-14-15-16-17-21-20-25(30-35-21)28(2,3)27(31)29-26-23(33-5)18-22(32-4)19-24(26)34-6/h18-20H,7-17H2,1-6H3,(H,29,31)
InChIKeyYINPBEFKYREDFO-UHFFFAOYSA-N
XLogP7.08
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.67
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-(5-dodecyl-1,2-oxazol-3-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide?
The IUPAC name of 2-(5-dodecyl-1,2-oxazol-3-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide (CID 10743615) is 2-(5-dodecyl-1,2-oxazol-3-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide.
What is the SMILES notation for 2-(5-dodecyl-1,2-oxazol-3-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide?
The canonical SMILES for 2-(5-dodecyl-1,2-oxazol-3-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide is CCCCCCCCCCCCc1cc(C(C)(C)C(=O)Nc2c(OC)cc(OC)cc2OC)no1.
What is the InChIKey of 2-(5-dodecyl-1,2-oxazol-3-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide?
The InChIKey is YINPBEFKYREDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N2O5/c1-7-8-9-10-11-12-13-14-15-16-17-21-20-25(30-35-21)28(2,3)27(31)29-26-23(33-5)18-22(32-4)19-24(26)34-6/h18-20H,7-17H2,1-6H3,(H,29,31).
What are the key properties of 2-(5-dodecyl-1,2-oxazol-3-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide?
2-(5-dodecyl-1,2-oxazol-3-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide has a molecular weight of 488.67 g/mol, XLogP of 7.08, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-dodecyl-1,2-oxazol-3-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide is sourced from PubChem (CID 10743615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).