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

C20H28N2O2 — CID 90036613

IUPACN-nonyl-N-(1,3-oxazol-2-yl)-2-phenylacetamide
SMILESCCCCCCCCCN(C(=O)Cc1ccccc1)c1ncco1
InChIInChI=1S/C20H28N2O2/c1-2-3-4-5-6-7-11-15-22(20-21-14-16-24-20)19(23)17-18-12-9-8-10-13-18/h8-10,12-14,16H,2-7,11,15,17H2,1H3
InChIKeyJTKCNKKSUAMDOS-UHFFFAOYSA-N
MW328.46 g/mol
LogP5.00
Rot. Bonds11

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

N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylacetamide (PubChem CID 90036613) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-nonyl-N-(1,3-oxazol-2-yl)-2-phenylacetamide
PubChem CID90036613
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-nonyl-N-(1,3-oxazol-2-yl)-2-phenylacetamide
SMILESCCCCCCCCCN(C(=O)Cc1ccccc1)c1ncco1
InChIInChI=1S/C20H28N2O2/c1-2-3-4-5-6-7-11-15-22(20-21-14-16-24-20)19(23)17-18-12-9-8-10-13-18/h8-10,12-14,16H,2-7,11,15,17H2,1H3
InChIKeyJTKCNKKSUAMDOS-UHFFFAOYSA-N
XLogP5.00
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.00
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-phenylacetamide?
The IUPAC name of N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylacetamide (CID 90036613) is N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylacetamide?
The canonical SMILES for N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylacetamide is CCCCCCCCCN(C(=O)Cc1ccccc1)c1ncco1.
What is the InChIKey of N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylacetamide?
The InChIKey is JTKCNKKSUAMDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-2-3-4-5-6-7-11-15-22(20-21-14-16-24-20)19(23)17-18-12-9-8-10-13-18/h8-10,12-14,16H,2-7,11,15,17H2,1H3.
What are the key properties of N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylacetamide?
N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylacetamide has a molecular weight of 328.46 g/mol, XLogP of 5.00, 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-phenylacetamide is sourced from PubChem (CID 90036613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).