N-(4-hydroxycyclohexyl)-4-(2-phenylethyl)cyclohexane-1-carboxamide

C₂₁H₃₁NO₂ — CID 166634360

About N-(4-hydroxycyclohexyl)-4-(2-phenylethyl)cyclohexane-1-carboxamide

N-(4-hydroxycyclohexyl)-4-(2-phenylethyl)cyclohexane-1-carboxamide (PubChem CID 166634360) has the molecular formula C₂₁H₃₁NO₂ and a molecular weight of 329.48 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-4-(2-phenylethyl)cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-(4-hydroxycyclohexyl)-4-(2-phenylethyl)cyclohexane-1-carboxamide
• PubChem CID: 166634360
• Molecular Formula: C₂₁H₃₁NO₂
• Molecular Weight: 329.48 g/mol
• Exact Mass: 329.24
• IUPAC Name: N-(4-hydroxycyclohexyl)-4-(2-phenylethyl)cyclohexane-1-carboxamide
• SMILES: O=C(NC1CCC(O)CC1)C1CCC(CCc2ccccc2)CC1
• InChI: InChI=1S/C21H31NO2/c23-20-14-12-19(13-15-20)22-21(24)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,17-20,23H,6-15H2,(H,22,24)
• InChIKey: MTGZTPVCWBPDSW-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 49.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.48
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-4-(2-phenylethyl)cyclohexane-1-carboxamide?

The IUPAC name of N-(4-hydroxycyclohexyl)-4-(2-phenylethyl)cyclohexane-1-carboxamide (CID 166634360) is N-(4-hydroxycyclohexyl)-4-(2-phenylethyl)cyclohexane-1-carboxamide.

What is the SMILES notation for N-(4-hydroxycyclohexyl)-4-(2-phenylethyl)cyclohexane-1-carboxamide?

The canonical SMILES for N-(4-hydroxycyclohexyl)-4-(2-phenylethyl)cyclohexane-1-carboxamide is O=C(NC1CCC(O)CC1)C1CCC(CCc2ccccc2)CC1.

What is the InChIKey of N-(4-hydroxycyclohexyl)-4-(2-phenylethyl)cyclohexane-1-carboxamide?

The InChIKey is MTGZTPVCWBPDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c23-20-14-12-19(13-15-20)22-21(24)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,17-20,23H,6-15H2,(H,22,24).

What are the key properties of N-(4-hydroxycyclohexyl)-4-(2-phenylethyl)cyclohexane-1-carboxamide?

N-(4-hydroxycyclohexyl)-4-(2-phenylethyl)cyclohexane-1-carboxamide has a molecular weight of 329.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-hydroxycyclohexyl)-4-(2-phenylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 166634360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166634360 — identifiers, structure, computed properties (public domain)

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