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

C26H40N2O5 — CID 10695292

IUPAC2-(3-dodecyl-1,2-oxazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide
SMILESCCCCCCCCCCCCc1cc(CC(=O)Nc2c(OC)cc(OC)cc2OC)on1
InChIInChI=1S/C26H40N2O5/c1-5-6-7-8-9-10-11-12-13-14-15-20-16-22(33-28-20)19-25(29)27-26-23(31-3)17-21(30-2)18-24(26)32-4/h16-18H,5-15,19H2,1-4H3,(H,27,29)
InChIKeyHCGMQWBTQCREJX-UHFFFAOYSA-N
MW460.62 g/mol
LogP6.34
Rot. Bonds17

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

2-(3-dodecyl-1,2-oxazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide (PubChem CID 10695292) has the molecular formula C26H40N2O5 and a molecular weight of 460.62 g/mol. Its IUPAC name is 2-(3-dodecyl-1,2-oxazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-dodecyl-1,2-oxazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide
PubChem CID10695292
Molecular FormulaC26H40N2O5
Molecular Weight460.62 g/mol
Exact Mass460.29
IUPAC Name2-(3-dodecyl-1,2-oxazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide
SMILESCCCCCCCCCCCCc1cc(CC(=O)Nc2c(OC)cc(OC)cc2OC)on1
InChIInChI=1S/C26H40N2O5/c1-5-6-7-8-9-10-11-12-13-14-15-20-16-22(33-28-20)19-25(29)27-26-23(31-3)17-21(30-2)18-24(26)32-4/h16-18H,5-15,19H2,1-4H3,(H,27,29)
InChIKeyHCGMQWBTQCREJX-UHFFFAOYSA-N
XLogP6.34
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 56.34
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-(3-dodecyl-1,2-oxazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(3-dodecyl-1,2-oxazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide (CID 10695292) is 2-(3-dodecyl-1,2-oxazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-dodecyl-1,2-oxazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-dodecyl-1,2-oxazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide is CCCCCCCCCCCCc1cc(CC(=O)Nc2c(OC)cc(OC)cc2OC)on1.
What is the InChIKey of 2-(3-dodecyl-1,2-oxazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide?
The InChIKey is HCGMQWBTQCREJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O5/c1-5-6-7-8-9-10-11-12-13-14-15-20-16-22(33-28-20)19-25(29)27-26-23(31-3)17-21(30-2)18-24(26)32-4/h16-18H,5-15,19H2,1-4H3,(H,27,29).
What are the key properties of 2-(3-dodecyl-1,2-oxazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide?
2-(3-dodecyl-1,2-oxazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide has a molecular weight of 460.62 g/mol, XLogP of 6.34, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dodecyl-1,2-oxazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide is sourced from PubChem (CID 10695292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).