2-amino-N-[1-[[1-hydroxy-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]amino]-1-oxopropan-2-yl]propanamide

C13H27N3O4 — CID 155149514

About 2-amino-N-[1-[[1-hydroxy-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]amino]-1-oxopropan-2-yl]propanamide

2-amino-N-[1-[[1-hydroxy-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]amino]-1-oxopropan-2-yl]propanamide (PubChem CID 155149514) has the molecular formula C13H27N3O4 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-amino-N-[1-[[1-hydroxy-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]amino]-1-oxopropan-2-yl]propanamide.

Molecular Properties

• Compound Name: 2-amino-N-[1-[[1-hydroxy-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]amino]-1-oxopropan-2-yl]propanamide
• PubChem CID: 155149514
• Molecular Formula: C13H27N3O4
• Molecular Weight: 289.38 g/mol
• Exact Mass: 289.20
• IUPAC Name: 2-amino-N-[1-[[1-hydroxy-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]amino]-1-oxopropan-2-yl]propanamide
• SMILES: CC(N)C(=O)NC(C)C(=O)NC(C)C(O)OC(C)(C)C
• InChI: InChI=1S/C13H27N3O4/c1-7(14)10(17)15-8(2)11(18)16-9(3)12(19)20-13(4,5)6/h7-9,12,19H,14H2,1-6H3,(H,15,17)(H,16,18)
• InChIKey: AZOLWPUDLIYGPN-UHFFFAOYSA-N
• XLogP: -0.52
• TPSA: 113.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.38
LogP ≤ 5	-0.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[[1-hydroxy-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]amino]-1-oxopropan-2-yl]propanamide?

The IUPAC name of 2-amino-N-[1-[[1-hydroxy-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]amino]-1-oxopropan-2-yl]propanamide (CID 155149514) is 2-amino-N-[1-[[1-hydroxy-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]amino]-1-oxopropan-2-yl]propanamide.

What is the SMILES notation for 2-amino-N-[1-[[1-hydroxy-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]amino]-1-oxopropan-2-yl]propanamide?

The canonical SMILES for 2-amino-N-[1-[[1-hydroxy-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]amino]-1-oxopropan-2-yl]propanamide is CC(N)C(=O)NC(C)C(=O)NC(C)C(O)OC(C)(C)C.

What is the InChIKey of 2-amino-N-[1-[[1-hydroxy-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]amino]-1-oxopropan-2-yl]propanamide?

The InChIKey is AZOLWPUDLIYGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4/c1-7(14)10(17)15-8(2)11(18)16-9(3)12(19)20-13(4,5)6/h7-9,12,19H,14H2,1-6H3,(H,15,17)(H,16,18).

What are the key properties of 2-amino-N-[1-[[1-hydroxy-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]amino]-1-oxopropan-2-yl]propanamide?

2-amino-N-[1-[[1-hydroxy-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]amino]-1-oxopropan-2-yl]propanamide has a molecular weight of 289.38 g/mol, XLogP of -0.52, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-[[1-hydroxy-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]amino]-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 155149514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).