(4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide

C₁₅H₂₄N₂O₂ — CID 71170886

About (4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide

(4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 71170886) has the molecular formula C₁₅H₂₄N₂O₂ and a molecular weight of 264.37 g/mol. Its IUPAC name is (4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

• Compound Name: (4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
• PubChem CID: 71170886
• Molecular Formula: C₁₅H₂₄N₂O₂
• Molecular Weight: 264.37 g/mol
• Exact Mass: 264.18
• IUPAC Name: (4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
• SMILES: CC1=CC(C(=O)NCCN2CCOCC2)=CC[C@@H]1C
• InChI: InChI=1S/C15H24N2O2/c1-12-3-4-14(11-13(12)2)15(18)16-5-6-17-7-9-19-10-8-17/h4,11-12H,3,5-10H2,1-2H3,(H,16,18)/t12-/m0/s1
• InChIKey: BBWIBFYIMAHEKS-LBPRGKRZSA-N
• XLogP: 1.35
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.37
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide?

The IUPAC name of (4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide (CID 71170886) is (4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide.

What is the SMILES notation for (4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide?

The canonical SMILES for (4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide is CC1=CC(C(=O)NCCN2CCOCC2)=CC[C@@H]1C.

What is the InChIKey of (4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide?

The InChIKey is BBWIBFYIMAHEKS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-3-4-14(11-13(12)2)15(18)16-5-6-17-7-9-19-10-8-17/h4,11-12H,3,5-10H2,1-2H3,(H,16,18)/t12-/m0/s1.

What are the key properties of (4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide?

(4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 71170886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71170886 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.