N-[3-[[4-(2,3-dimethyloxiran-2-yl)-2,3-dimethylbutanoyl]amino]-2,2-dimethylpropyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide

C24H42N2O4 — CID 89277269

About N-[3-[[4-(2,3-dimethyloxiran-2-yl)-2,3-dimethylbutanoyl]amino]-2,2-dimethylpropyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide

N-[3-[[4-(2,3-dimethyloxiran-2-yl)-2,3-dimethylbutanoyl]amino]-2,2-dimethylpropyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide (PubChem CID 89277269) has the molecular formula C24H42N2O4 and a molecular weight of 422.61 g/mol. Its IUPAC name is N-[3-[[4-(2,3-dimethyloxiran-2-yl)-2,3-dimethylbutanoyl]amino]-2,2-dimethylpropyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[4-(2,3-dimethyloxiran-2-yl)-2,3-dimethylbutanoyl]amino]-2,2-dimethylpropyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide
• PubChem CID: 89277269
• Molecular Formula: C24H42N2O4
• Molecular Weight: 422.61 g/mol
• Exact Mass: 422.31
• IUPAC Name: N-[3-[[4-(2,3-dimethyloxiran-2-yl)-2,3-dimethylbutanoyl]amino]-2,2-dimethylpropyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide
• SMILES: CC(CC1(C)OC1C)C(C)C(=O)NCC(C)(C)CNC(=O)C1CC2OC2(C)CC1C
• InChI: InChI=1S/C24H42N2O4/c1-14(10-23(7)17(4)29-23)16(3)20(27)25-12-22(5,6)13-26-21(28)18-9-19-24(8,30-19)11-15(18)2/h14-19H,9-13H2,1-8H3,(H,25,27)(H,26,28)
• InChIKey: ZEKHVYMPGVCTCC-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 83.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.61
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(2,3-dimethyloxiran-2-yl)-2,3-dimethylbutanoyl]amino]-2,2-dimethylpropyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide?

The IUPAC name of N-[3-[[4-(2,3-dimethyloxiran-2-yl)-2,3-dimethylbutanoyl]amino]-2,2-dimethylpropyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide (CID 89277269) is N-[3-[[4-(2,3-dimethyloxiran-2-yl)-2,3-dimethylbutanoyl]amino]-2,2-dimethylpropyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide.

What is the SMILES notation for N-[3-[[4-(2,3-dimethyloxiran-2-yl)-2,3-dimethylbutanoyl]amino]-2,2-dimethylpropyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide?

The canonical SMILES for N-[3-[[4-(2,3-dimethyloxiran-2-yl)-2,3-dimethylbutanoyl]amino]-2,2-dimethylpropyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide is CC(CC1(C)OC1C)C(C)C(=O)NCC(C)(C)CNC(=O)C1CC2OC2(C)CC1C.

What is the InChIKey of N-[3-[[4-(2,3-dimethyloxiran-2-yl)-2,3-dimethylbutanoyl]amino]-2,2-dimethylpropyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide?

The InChIKey is ZEKHVYMPGVCTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O4/c1-14(10-23(7)17(4)29-23)16(3)20(27)25-12-22(5,6)13-26-21(28)18-9-19-24(8,30-19)11-15(18)2/h14-19H,9-13H2,1-8H3,(H,25,27)(H,26,28).

What are the key properties of N-[3-[[4-(2,3-dimethyloxiran-2-yl)-2,3-dimethylbutanoyl]amino]-2,2-dimethylpropyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide?

N-[3-[[4-(2,3-dimethyloxiran-2-yl)-2,3-dimethylbutanoyl]amino]-2,2-dimethylpropyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide has a molecular weight of 422.61 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[4-(2,3-dimethyloxiran-2-yl)-2,3-dimethylbutanoyl]amino]-2,2-dimethylpropyl]-4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide is sourced from PubChem (CID 89277269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).