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

C31H43N3O5 — CID 10840102

IUPAC2-(5-dodecyl-1,3,4-oxadiazol-2-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide
SMILESCCCCCCCCCCCCc1nnc(C(C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccccc2)o1
InChIInChI=1S/C31H43N3O5/c1-5-6-7-8-9-10-11-12-13-17-20-27-33-34-31(39-27)28(23-18-15-14-16-19-23)30(35)32-29-25(37-3)21-24(36-2)22-26(29)38-4/h14-16,18-19,21-22,28H,5-13,17,20H2,1-4H3,(H,32,35)
InChIKeyUCQQLMCMDBWDNK-UHFFFAOYSA-N
MW537.70 g/mol
LogP7.33
Rot. Bonds18

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

2-(5-dodecyl-1,3,4-oxadiazol-2-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide (PubChem CID 10840102) has the molecular formula C31H43N3O5 and a molecular weight of 537.70 g/mol. Its IUPAC name is 2-(5-dodecyl-1,3,4-oxadiazol-2-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5-dodecyl-1,3,4-oxadiazol-2-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide
PubChem CID10840102
Molecular FormulaC31H43N3O5
Molecular Weight537.70 g/mol
Exact Mass537.32
IUPAC Name2-(5-dodecyl-1,3,4-oxadiazol-2-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide
SMILESCCCCCCCCCCCCc1nnc(C(C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccccc2)o1
InChIInChI=1S/C31H43N3O5/c1-5-6-7-8-9-10-11-12-13-17-20-27-33-34-31(39-27)28(23-18-15-14-16-19-23)30(35)32-29-25(37-3)21-24(36-2)22-26(29)38-4/h14-16,18-19,21-22,28H,5-13,17,20H2,1-4H3,(H,32,35)
InChIKeyUCQQLMCMDBWDNK-UHFFFAOYSA-N
XLogP7.33
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.70
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-1,3,4-oxadiazol-2-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(5-dodecyl-1,3,4-oxadiazol-2-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide (CID 10840102) is 2-(5-dodecyl-1,3,4-oxadiazol-2-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(5-dodecyl-1,3,4-oxadiazol-2-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(5-dodecyl-1,3,4-oxadiazol-2-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide is CCCCCCCCCCCCc1nnc(C(C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccccc2)o1.
What is the InChIKey of 2-(5-dodecyl-1,3,4-oxadiazol-2-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide?
The InChIKey is UCQQLMCMDBWDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N3O5/c1-5-6-7-8-9-10-11-12-13-17-20-27-33-34-31(39-27)28(23-18-15-14-16-19-23)30(35)32-29-25(37-3)21-24(36-2)22-26(29)38-4/h14-16,18-19,21-22,28H,5-13,17,20H2,1-4H3,(H,32,35).
What are the key properties of 2-(5-dodecyl-1,3,4-oxadiazol-2-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide?
2-(5-dodecyl-1,3,4-oxadiazol-2-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide has a molecular weight of 537.70 g/mol, XLogP of 7.33, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-dodecyl-1,3,4-oxadiazol-2-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide is sourced from PubChem (CID 10840102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).