N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C23H32N2O6 — CID 76573821

About N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 76573821) has the molecular formula C23H32N2O6 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
• PubChem CID: 76573821
• Molecular Formula: C23H32N2O6
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.23
• IUPAC Name: N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
• SMILES: CC(C)CC(NC(=O)C(CO)NC(=O)C1CCc2ccccc2C1)C(=O)C1(CO)CO1
• InChI: InChI=1S/C23H32N2O6/c1-14(2)9-18(20(28)23(12-27)13-31-23)24-22(30)19(11-26)25-21(29)17-8-7-15-5-3-4-6-16(15)10-17/h3-6,14,17-19,26-27H,7-13H2,1-2H3,(H,24,30)(H,25,29)
• InChIKey: BJHWZCHKZCJSQA-UHFFFAOYSA-N
• XLogP: 0.13
• TPSA: 128.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	0.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

The IUPAC name of N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 76573821) is N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

What is the SMILES notation for N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

The canonical SMILES for N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CC(C)CC(NC(=O)C(CO)NC(=O)C1CCc2ccccc2C1)C(=O)C1(CO)CO1.

What is the InChIKey of N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

The InChIKey is BJHWZCHKZCJSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O6/c1-14(2)9-18(20(28)23(12-27)13-31-23)24-22(30)19(11-26)25-21(29)17-8-7-15-5-3-4-6-16(15)10-17/h3-6,14,17-19,26-27H,7-13H2,1-2H3,(H,24,30)(H,25,29).

What are the key properties of N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 0.13, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 76573821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).