N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylpropanamide

C21H30N2O2 — CID 90036677

IUPACN-nonyl-N-(1,3-oxazol-2-yl)-2-phenylpropanamide
SMILESCCCCCCCCCN(C(=O)C(C)c1ccccc1)c1ncco1
InChIInChI=1S/C21H30N2O2/c1-3-4-5-6-7-8-12-16-23(21-22-15-17-25-21)20(24)18(2)19-13-10-9-11-14-19/h9-11,13-15,17-18H,3-8,12,16H2,1-2H3
InChIKeyDZRFHGBQNOZTAW-UHFFFAOYSA-N
MW342.48 g/mol
LogP5.56
Rot. Bonds11

About N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylpropanamide

N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylpropanamide (PubChem CID 90036677) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylpropanamide.

Molecular Properties

Compound NameN-nonyl-N-(1,3-oxazol-2-yl)-2-phenylpropanamide
PubChem CID90036677
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-nonyl-N-(1,3-oxazol-2-yl)-2-phenylpropanamide
SMILESCCCCCCCCCN(C(=O)C(C)c1ccccc1)c1ncco1
InChIInChI=1S/C21H30N2O2/c1-3-4-5-6-7-8-12-16-23(21-22-15-17-25-21)20(24)18(2)19-13-10-9-11-14-19/h9-11,13-15,17-18H,3-8,12,16H2,1-2H3
InChIKeyDZRFHGBQNOZTAW-UHFFFAOYSA-N
XLogP5.56
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylpropanamide?
The IUPAC name of N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylpropanamide (CID 90036677) is N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylpropanamide.
What is the SMILES notation for N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylpropanamide?
The canonical SMILES for N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylpropanamide is CCCCCCCCCN(C(=O)C(C)c1ccccc1)c1ncco1.
What is the InChIKey of N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylpropanamide?
The InChIKey is DZRFHGBQNOZTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-3-4-5-6-7-8-12-16-23(21-22-15-17-25-21)20(24)18(2)19-13-10-9-11-14-19/h9-11,13-15,17-18H,3-8,12,16H2,1-2H3.
What are the key properties of N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylpropanamide?
N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylpropanamide has a molecular weight of 342.48 g/mol, XLogP of 5.56, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylpropanamide is sourced from PubChem (CID 90036677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).