ethane;methylcyclohexane;(2-oxo-2-piperidin-1-ylethyl) N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate

C28H43N3O5 — CID 143134062

About ethane;methylcyclohexane;(2-oxo-2-piperidin-1-ylethyl) N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate

ethane;methylcyclohexane;(2-oxo-2-piperidin-1-ylethyl) N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate (PubChem CID 143134062) has the molecular formula C28H43N3O5 and a molecular weight of 501.67 g/mol. Its IUPAC name is ethane;methylcyclohexane;(2-oxo-2-piperidin-1-ylethyl) N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: ethane;methylcyclohexane;(2-oxo-2-piperidin-1-ylethyl) N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate
• PubChem CID: 143134062
• Molecular Formula: C28H43N3O5
• Molecular Weight: 501.67 g/mol
• Exact Mass: 501.32
• IUPAC Name: ethane;methylcyclohexane;(2-oxo-2-piperidin-1-ylethyl) N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate
• SMILES: CC.CC1CCCCC1.CCC(NC(=O)OCC(=O)N1CCCCC1)C(=O)c1nc2ccccc2o1
• InChI: InChI=1S/C19H23N3O5.C7H14.C2H6/c1-2-13(17(24)18-20-14-8-4-5-9-15(14)27-18)21-19(25)26-12-16(23)22-10-6-3-7-11-22;1-7-5-3-2-4-6-7;1-2/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3,(H,21,25);7H,2-6H2,1H3;1-2H3
• InChIKey: HXGVPENSMWPKFY-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 101.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.67
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethane;methylcyclohexane;(2-oxo-2-piperidin-1-ylethyl) N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate?

The IUPAC name of ethane;methylcyclohexane;(2-oxo-2-piperidin-1-ylethyl) N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate (CID 143134062) is ethane;methylcyclohexane;(2-oxo-2-piperidin-1-ylethyl) N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for ethane;methylcyclohexane;(2-oxo-2-piperidin-1-ylethyl) N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate?

The canonical SMILES for ethane;methylcyclohexane;(2-oxo-2-piperidin-1-ylethyl) N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate is CC.CC1CCCCC1.CCC(NC(=O)OCC(=O)N1CCCCC1)C(=O)c1nc2ccccc2o1.

What is the InChIKey of ethane;methylcyclohexane;(2-oxo-2-piperidin-1-ylethyl) N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate?

The InChIKey is HXGVPENSMWPKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5.C7H14.C2H6/c1-2-13(17(24)18-20-14-8-4-5-9-15(14)27-18)21-19(25)26-12-16(23)22-10-6-3-7-11-22;1-7-5-3-2-4-6-7;1-2/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3,(H,21,25);7H,2-6H2,1H3;1-2H3.

What are the key properties of ethane;methylcyclohexane;(2-oxo-2-piperidin-1-ylethyl) N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate?

ethane;methylcyclohexane;(2-oxo-2-piperidin-1-ylethyl) N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate has a molecular weight of 501.67 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;methylcyclohexane;(2-oxo-2-piperidin-1-ylethyl) N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 143134062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).