tert-butyl N-[4-methyl-1-[[1-(2-methyl-1-oxopropan-2-yl)imidazol-4-yl]amino]-1-oxopentan-2-yl]carbamate

C18H30N4O4 — CID 87293238

About tert-butyl N-[4-methyl-1-[[1-(2-methyl-1-oxopropan-2-yl)imidazol-4-yl]amino]-1-oxopentan-2-yl]carbamate

tert-butyl N-[4-methyl-1-[[1-(2-methyl-1-oxopropan-2-yl)imidazol-4-yl]amino]-1-oxopentan-2-yl]carbamate (PubChem CID 87293238) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is tert-butyl N-[4-methyl-1-[[1-(2-methyl-1-oxopropan-2-yl)imidazol-4-yl]amino]-1-oxopentan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[4-methyl-1-[[1-(2-methyl-1-oxopropan-2-yl)imidazol-4-yl]amino]-1-oxopentan-2-yl]carbamate
• PubChem CID: 87293238
• Molecular Formula: C18H30N4O4
• Molecular Weight: 366.46 g/mol
• Exact Mass: 366.23
• IUPAC Name: tert-butyl N-[4-methyl-1-[[1-(2-methyl-1-oxopropan-2-yl)imidazol-4-yl]amino]-1-oxopentan-2-yl]carbamate
• SMILES: CC(C)CC(NC(=O)OC(C)(C)C)C(=O)Nc1cn(C(C)(C)C=O)cn1
• InChI: InChI=1S/C18H30N4O4/c1-12(2)8-13(20-16(25)26-17(3,4)5)15(24)21-14-9-22(11-19-14)18(6,7)10-23/h9-13H,8H2,1-7H3,(H,20,25)(H,21,24)
• InChIKey: ZJQHHYWYBVNKKE-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 102.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.46
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-methyl-1-[[1-(2-methyl-1-oxopropan-2-yl)imidazol-4-yl]amino]-1-oxopentan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[4-methyl-1-[[1-(2-methyl-1-oxopropan-2-yl)imidazol-4-yl]amino]-1-oxopentan-2-yl]carbamate (CID 87293238) is tert-butyl N-[4-methyl-1-[[1-(2-methyl-1-oxopropan-2-yl)imidazol-4-yl]amino]-1-oxopentan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[4-methyl-1-[[1-(2-methyl-1-oxopropan-2-yl)imidazol-4-yl]amino]-1-oxopentan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[4-methyl-1-[[1-(2-methyl-1-oxopropan-2-yl)imidazol-4-yl]amino]-1-oxopentan-2-yl]carbamate is CC(C)CC(NC(=O)OC(C)(C)C)C(=O)Nc1cn(C(C)(C)C=O)cn1.

What is the InChIKey of tert-butyl N-[4-methyl-1-[[1-(2-methyl-1-oxopropan-2-yl)imidazol-4-yl]amino]-1-oxopentan-2-yl]carbamate?

The InChIKey is ZJQHHYWYBVNKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-12(2)8-13(20-16(25)26-17(3,4)5)15(24)21-14-9-22(11-19-14)18(6,7)10-23/h9-13H,8H2,1-7H3,(H,20,25)(H,21,24).

What are the key properties of tert-butyl N-[4-methyl-1-[[1-(2-methyl-1-oxopropan-2-yl)imidazol-4-yl]amino]-1-oxopentan-2-yl]carbamate?

tert-butyl N-[4-methyl-1-[[1-(2-methyl-1-oxopropan-2-yl)imidazol-4-yl]amino]-1-oxopentan-2-yl]carbamate has a molecular weight of 366.46 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-methyl-1-[[1-(2-methyl-1-oxopropan-2-yl)imidazol-4-yl]amino]-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 87293238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).