3-cyclohexyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]propanamide

C17H31NO7 — CID 101118592

About 3-cyclohexyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]propanamide

3-cyclohexyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]propanamide (PubChem CID 101118592) has the molecular formula C17H31NO7 and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]propanamide.

Molecular Properties

• Compound Name: 3-cyclohexyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]propanamide
• PubChem CID: 101118592
• Molecular Formula: C17H31NO7
• Molecular Weight: 361.44 g/mol
• Exact Mass: 361.21
• IUPAC Name: 3-cyclohexyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]propanamide
• SMILES: O=C(CCC1CCCCC1)NCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C17H31NO7/c19-10-12-14(21)15(22)16(23)17(25-12)24-9-8-18-13(20)7-6-11-4-2-1-3-5-11/h11-12,14-17,19,21-23H,1-10H2,(H,18,20)/t12-,14+,15+,16-,17-/m1/s1
• InChIKey: IVKAUYNUUGYQGN-UVLCOCDESA-N
• XLogP: -0.72
• TPSA: 128.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.44
LogP ≤ 5	-0.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]propanamide?

The IUPAC name of 3-cyclohexyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]propanamide (CID 101118592) is 3-cyclohexyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]propanamide.

What is the SMILES notation for 3-cyclohexyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]propanamide?

The canonical SMILES for 3-cyclohexyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]propanamide is O=C(CCC1CCCCC1)NCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.

What is the InChIKey of 3-cyclohexyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]propanamide?

The InChIKey is IVKAUYNUUGYQGN-UVLCOCDESA-N. The full InChI is InChI=1S/C17H31NO7/c19-10-12-14(21)15(22)16(23)17(25-12)24-9-8-18-13(20)7-6-11-4-2-1-3-5-11/h11-12,14-17,19,21-23H,1-10H2,(H,18,20)/t12-,14+,15+,16-,17-/m1/s1.

What are the key properties of 3-cyclohexyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]propanamide?

3-cyclohexyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]propanamide has a molecular weight of 361.44 g/mol, XLogP of -0.72, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]propanamide is sourced from PubChem (CID 101118592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).