tert-butyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate

C20H24N4O6 — CID 24789281

IUPACtert-butyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)c1[nH]cnc1C(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C20H24N4O6/c1-20(2,3)30-15(26)10-22-19(28)17-16(23-12-24-17)18(27)21-9-14(25)29-11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,21,27)(H,22,28)(H,23,24)
InChIKeyWIDMTKWHTJQURR-UHFFFAOYSA-N
MW416.43 g/mol
LogP0.95
Rot. Bonds8

About tert-butyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate

tert-butyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate (PubChem CID 24789281) has the molecular formula C20H24N4O6 and a molecular weight of 416.43 g/mol. Its IUPAC name is tert-butyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate
PubChem CID24789281
Molecular FormulaC20H24N4O6
Molecular Weight416.43 g/mol
Exact Mass416.17
IUPAC Nametert-butyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)c1[nH]cnc1C(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C20H24N4O6/c1-20(2,3)30-15(26)10-22-19(28)17-16(23-12-24-17)18(27)21-9-14(25)29-11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,21,27)(H,22,28)(H,23,24)
InChIKeyWIDMTKWHTJQURR-UHFFFAOYSA-N
XLogP0.95
TPSA139.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate (CID 24789281) is tert-butyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate is CC(C)(C)OC(=O)CNC(=O)c1[nH]cnc1C(=O)NCC(=O)OCc1ccccc1.
What is the InChIKey of tert-butyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate?
The InChIKey is WIDMTKWHTJQURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O6/c1-20(2,3)30-15(26)10-22-19(28)17-16(23-12-24-17)18(27)21-9-14(25)29-11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,21,27)(H,22,28)(H,23,24).
What are the key properties of tert-butyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate?
tert-butyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate has a molecular weight of 416.43 g/mol, XLogP of 0.95, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate is sourced from PubChem (CID 24789281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).