tert-butyl N-ethyl-N-[[2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]methyl]carbamate

C27H34N4O5 — CID 55971455

About tert-butyl N-ethyl-N-[[2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]methyl]carbamate

tert-butyl N-ethyl-N-[[2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]methyl]carbamate (PubChem CID 55971455) has the molecular formula C27H34N4O5 and a molecular weight of 494.59 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[[2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-ethyl-N-[[2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]methyl]carbamate
• PubChem CID: 55971455
• Molecular Formula: C27H34N4O5
• Molecular Weight: 494.59 g/mol
• Exact Mass: 494.25
• IUPAC Name: tert-butyl N-ethyl-N-[[2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]methyl]carbamate
• SMILES: CCN(Cc1ccccc1NC(=O)CN1C(=O)NC(C)(c2ccc(C)cc2)C1=O)C(=O)OC(C)(C)C
• InChI: InChI=1S/C27H34N4O5/c1-7-30(25(35)36-26(3,4)5)16-19-10-8-9-11-21(19)28-22(32)17-31-23(33)27(6,29-24(31)34)20-14-12-18(2)13-15-20/h8-15H,7,16-17H2,1-6H3,(H,28,32)(H,29,34)
• InChIKey: FBPBKXJUXSAPFN-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.59
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[[2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]methyl]carbamate?

The IUPAC name of tert-butyl N-ethyl-N-[[2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]methyl]carbamate (CID 55971455) is tert-butyl N-ethyl-N-[[2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]methyl]carbamate.

What is the SMILES notation for tert-butyl N-ethyl-N-[[2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]methyl]carbamate?

The canonical SMILES for tert-butyl N-ethyl-N-[[2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]methyl]carbamate is CCN(Cc1ccccc1NC(=O)CN1C(=O)NC(C)(c2ccc(C)cc2)C1=O)C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-ethyl-N-[[2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]methyl]carbamate?

The InChIKey is FBPBKXJUXSAPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O5/c1-7-30(25(35)36-26(3,4)5)16-19-10-8-9-11-21(19)28-22(32)17-31-23(33)27(6,29-24(31)34)20-14-12-18(2)13-15-20/h8-15H,7,16-17H2,1-6H3,(H,28,32)(H,29,34).

What are the key properties of tert-butyl N-ethyl-N-[[2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]methyl]carbamate?

tert-butyl N-ethyl-N-[[2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]methyl]carbamate has a molecular weight of 494.59 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-ethyl-N-[[2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]methyl]carbamate is sourced from PubChem (CID 55971455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).