1-[dimethylcarbamoyl(methyl)amino]propan-2-yl 4-[[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-3-propan-2-yloxybenzoate

C29H42N4O9 — CID 20710505

About 1-[dimethylcarbamoyl(methyl)amino]propan-2-yl 4-[[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-3-propan-2-yloxybenzoate

1-[dimethylcarbamoyl(methyl)amino]propan-2-yl 4-[[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-3-propan-2-yloxybenzoate (PubChem CID 20710505) has the molecular formula C29H42N4O9 and a molecular weight of 590.67 g/mol. Its IUPAC name is 1-[dimethylcarbamoyl(methyl)amino]propan-2-yl 4-[[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-3-propan-2-yloxybenzoate.

Molecular Properties

• Compound Name: 1-[dimethylcarbamoyl(methyl)amino]propan-2-yl 4-[[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-3-propan-2-yloxybenzoate
• PubChem CID: 20710505
• Molecular Formula: C29H42N4O9
• Molecular Weight: 590.67 g/mol
• Exact Mass: 590.30
• IUPAC Name: 1-[dimethylcarbamoyl(methyl)amino]propan-2-yl 4-[[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-3-propan-2-yloxybenzoate
• SMILES: CC(C)Oc1cc(C(=O)OC(C)CN(C)C(=O)N(C)C)ccc1NC(=O)C(C(=O)C(C)(C)C)N1C(=O)OC(C)(C)C1=O
• InChI: InChI=1S/C29H42N4O9/c1-16(2)40-20-14-18(24(36)41-17(3)15-32(11)26(38)31(9)10)12-13-19(20)30-23(35)21(22(34)28(4,5)6)33-25(37)29(7,8)42-27(33)39/h12-14,16-17,21H,15H2,1-11H3,(H,30,35)
• InChIKey: WGHCIFAYXFDTRY-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 151.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.67
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[dimethylcarbamoyl(methyl)amino]propan-2-yl 4-[[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-3-propan-2-yloxybenzoate?

The IUPAC name of 1-[dimethylcarbamoyl(methyl)amino]propan-2-yl 4-[[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-3-propan-2-yloxybenzoate (CID 20710505) is 1-[dimethylcarbamoyl(methyl)amino]propan-2-yl 4-[[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-3-propan-2-yloxybenzoate.

What is the SMILES notation for 1-[dimethylcarbamoyl(methyl)amino]propan-2-yl 4-[[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-3-propan-2-yloxybenzoate?

The canonical SMILES for 1-[dimethylcarbamoyl(methyl)amino]propan-2-yl 4-[[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-3-propan-2-yloxybenzoate is CC(C)Oc1cc(C(=O)OC(C)CN(C)C(=O)N(C)C)ccc1NC(=O)C(C(=O)C(C)(C)C)N1C(=O)OC(C)(C)C1=O.

What is the InChIKey of 1-[dimethylcarbamoyl(methyl)amino]propan-2-yl 4-[[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-3-propan-2-yloxybenzoate?

The InChIKey is WGHCIFAYXFDTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N4O9/c1-16(2)40-20-14-18(24(36)41-17(3)15-32(11)26(38)31(9)10)12-13-19(20)30-23(35)21(22(34)28(4,5)6)33-25(37)29(7,8)42-27(33)39/h12-14,16-17,21H,15H2,1-11H3,(H,30,35).

What are the key properties of 1-[dimethylcarbamoyl(methyl)amino]propan-2-yl 4-[[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-3-propan-2-yloxybenzoate?

1-[dimethylcarbamoyl(methyl)amino]propan-2-yl 4-[[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-3-propan-2-yloxybenzoate has a molecular weight of 590.67 g/mol, XLogP of 3.31, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[dimethylcarbamoyl(methyl)amino]propan-2-yl 4-[[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-3-propan-2-yloxybenzoate is sourced from PubChem (CID 20710505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).