N-[3-[1-(2-methoxyethoxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2,2-dimethylpropanamide

C18H30N2O4 — CID 59253208

IUPACN-[3-[1-(2-methoxyethoxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2,2-dimethylpropanamide
SMILESCOCCOCC1(c2cc(NC(=O)C(C)(C)C)on2)CCCCC1
InChIInChI=1S/C18H30N2O4/c1-17(2,3)16(21)19-15-12-14(20-24-15)18(8-6-5-7-9-18)13-23-11-10-22-4/h12H,5-11,13H2,1-4H3,(H,19,21)
InChIKeyUIOJHBFBYUGPDX-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.52
Rot. Bonds7

About N-[3-[1-(2-methoxyethoxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2,2-dimethylpropanamide

N-[3-[1-(2-methoxyethoxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2,2-dimethylpropanamide (PubChem CID 59253208) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[3-[1-(2-methoxyethoxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[1-(2-methoxyethoxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2,2-dimethylpropanamide
PubChem CID59253208
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC NameN-[3-[1-(2-methoxyethoxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2,2-dimethylpropanamide
SMILESCOCCOCC1(c2cc(NC(=O)C(C)(C)C)on2)CCCCC1
InChIInChI=1S/C18H30N2O4/c1-17(2,3)16(21)19-15-12-14(20-24-15)18(8-6-5-7-9-18)13-23-11-10-22-4/h12H,5-11,13H2,1-4H3,(H,19,21)
InChIKeyUIOJHBFBYUGPDX-UHFFFAOYSA-N
XLogP3.52
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-[1-(2-methoxyethoxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[1-(2-methoxyethoxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2,2-dimethylpropanamide (CID 59253208) is N-[3-[1-(2-methoxyethoxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[1-(2-methoxyethoxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[1-(2-methoxyethoxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2,2-dimethylpropanamide is COCCOCC1(c2cc(NC(=O)C(C)(C)C)on2)CCCCC1.
What is the InChIKey of N-[3-[1-(2-methoxyethoxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2,2-dimethylpropanamide?
The InChIKey is UIOJHBFBYUGPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-17(2,3)16(21)19-15-12-14(20-24-15)18(8-6-5-7-9-18)13-23-11-10-22-4/h12H,5-11,13H2,1-4H3,(H,19,21).
What are the key properties of N-[3-[1-(2-methoxyethoxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2,2-dimethylpropanamide?
N-[3-[1-(2-methoxyethoxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2,2-dimethylpropanamide has a molecular weight of 338.45 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-methoxyethoxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 59253208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).