2-methoxy-N-[[(1S,4S,6S)-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide

C24H33N3O4 — CID 38031261

About 2-methoxy-N-[[(1S,4S,6S)-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide

2-methoxy-N-[[(1S,4S,6S)-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide (PubChem CID 38031261) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-methoxy-N-[[(1S,4S,6S)-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[[(1S,4S,6S)-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide
• PubChem CID: 38031261
• Molecular Formula: C24H33N3O4
• Molecular Weight: 427.55 g/mol
• Exact Mass: 427.25
• IUPAC Name: 2-methoxy-N-[[(1S,4S,6S)-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide
• SMILES: COCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccc(OC)cc3)o2)C[C@H]1C(C)C
• InChI: InChI=1S/C24H33N3O4/c1-15(2)21-11-18(16(3)10-19(21)13-25-22(28)14-29-4)12-23-26-27-24(31-23)17-6-8-20(30-5)9-7-17/h6-10,15,18-19,21H,11-14H2,1-5H3,(H,25,28)/t18-,19-,21-/m0/s1
• InChIKey: WUQXCNFNTYDZKM-ZJOUEHCJSA-N
• XLogP: 3.90
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.55
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[(1S,4S,6S)-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide?

The IUPAC name of 2-methoxy-N-[[(1S,4S,6S)-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide (CID 38031261) is 2-methoxy-N-[[(1S,4S,6S)-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide.

What is the SMILES notation for 2-methoxy-N-[[(1S,4S,6S)-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide?

The canonical SMILES for 2-methoxy-N-[[(1S,4S,6S)-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide is COCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccc(OC)cc3)o2)C[C@H]1C(C)C.

What is the InChIKey of 2-methoxy-N-[[(1S,4S,6S)-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide?

The InChIKey is WUQXCNFNTYDZKM-ZJOUEHCJSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-15(2)21-11-18(16(3)10-19(21)13-25-22(28)14-29-4)12-23-26-27-24(31-23)17-6-8-20(30-5)9-7-17/h6-10,15,18-19,21H,11-14H2,1-5H3,(H,25,28)/t18-,19-,21-/m0/s1.

What are the key properties of 2-methoxy-N-[[(1S,4S,6S)-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide?

2-methoxy-N-[[(1S,4S,6S)-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide has a molecular weight of 427.55 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[[(1S,4S,6S)-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide is sourced from PubChem (CID 38031261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).