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

C32H45N3O5 — CID 70126186

IUPAC2-(5-dodecyl-2H-1,2,4-oxadiazin-3-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide
SMILESCCCCCCCCCCCCC1=CONC(C(C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccccc2)=N1
InChIInChI=1S/C32H45N3O5/c1-5-6-7-8-9-10-11-12-13-17-20-25-23-40-35-31(33-25)29(24-18-15-14-16-19-24)32(36)34-30-27(38-3)21-26(37-2)22-28(30)39-4/h14-16,18-19,21-23,29H,5-13,17,20H2,1-4H3,(H,33,35)(H,34,36)
InChIKeyCDUKANLEWZAFRX-UHFFFAOYSA-N
MW551.73 g/mol
LogP7.52
Rot. Bonds18

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

2-(5-dodecyl-2H-1,2,4-oxadiazin-3-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide (PubChem CID 70126186) has the molecular formula C32H45N3O5 and a molecular weight of 551.73 g/mol. Its IUPAC name is 2-(5-dodecyl-2H-1,2,4-oxadiazin-3-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5-dodecyl-2H-1,2,4-oxadiazin-3-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide
PubChem CID70126186
Molecular FormulaC32H45N3O5
Molecular Weight551.73 g/mol
Exact Mass551.34
IUPAC Name2-(5-dodecyl-2H-1,2,4-oxadiazin-3-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide
SMILESCCCCCCCCCCCCC1=CONC(C(C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccccc2)=N1
InChIInChI=1S/C32H45N3O5/c1-5-6-7-8-9-10-11-12-13-17-20-25-23-40-35-31(33-25)29(24-18-15-14-16-19-24)32(36)34-30-27(38-3)21-26(37-2)22-28(30)39-4/h14-16,18-19,21-23,29H,5-13,17,20H2,1-4H3,(H,33,35)(H,34,36)
InChIKeyCDUKANLEWZAFRX-UHFFFAOYSA-N
XLogP7.52
TPSA90.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.73
LogP ≤ 57.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[amino(tridecanoyl)amino]-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide
CID 67723815
3-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
CID 70116195
2-(5-dodecyltetrazol-2-yl)-2-(2-ethylphenyl)-N-(2,4,6-trimethoxyphenyl)acetamide
CID 57152372
2-[4-(dimethylamino)phenyl]-2-(2-dodecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide
CID 10674764
2-[1-dodecyl-1-(2,4,6-trimethoxyphenyl)tetrazol-1-ium-5-yl]-2-phenylacetamide
CID 57145436
2-(4-tert-butylphenyl)sulfanyl-N-(2,4,6-trimethoxyphenyl)octanamide
CID 14995488
(E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide
CID 67862538
(Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide
CID 14157095
(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
CID 10546372
N-dodecyl-2,2-diphenylacetamide
CID 5143289
2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide
CID 14276081
3-cyano-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
CID 86748282

Frequently Asked Questions

What is the IUPAC name of 2-(5-dodecyl-2H-1,2,4-oxadiazin-3-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(5-dodecyl-2H-1,2,4-oxadiazin-3-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide (CID 70126186) is 2-(5-dodecyl-2H-1,2,4-oxadiazin-3-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(5-dodecyl-2H-1,2,4-oxadiazin-3-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(5-dodecyl-2H-1,2,4-oxadiazin-3-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide is CCCCCCCCCCCCC1=CONC(C(C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccccc2)=N1.
What is the InChIKey of 2-(5-dodecyl-2H-1,2,4-oxadiazin-3-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide?
The InChIKey is CDUKANLEWZAFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N3O5/c1-5-6-7-8-9-10-11-12-13-17-20-25-23-40-35-31(33-25)29(24-18-15-14-16-19-24)32(36)34-30-27(38-3)21-26(37-2)22-28(30)39-4/h14-16,18-19,21-23,29H,5-13,17,20H2,1-4H3,(H,33,35)(H,34,36).
What are the key properties of 2-(5-dodecyl-2H-1,2,4-oxadiazin-3-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide?
2-(5-dodecyl-2H-1,2,4-oxadiazin-3-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide has a molecular weight of 551.73 g/mol, XLogP of 7.52, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-dodecyl-2H-1,2,4-oxadiazin-3-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide is sourced from PubChem (CID 70126186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).