2-amino-N-[1-[[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide

C27H32N6O4 — CID 20711040

About 2-amino-N-[1-[[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide

2-amino-N-[1-[[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide (PubChem CID 20711040) has the molecular formula C27H32N6O4 and a molecular weight of 504.59 g/mol. Its IUPAC name is 2-amino-N-[1-[[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-amino-N-[1-[[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
• PubChem CID: 20711040
• Molecular Formula: C27H32N6O4
• Molecular Weight: 504.59 g/mol
• Exact Mass: 504.25
• IUPAC Name: 2-amino-N-[1-[[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
• SMILES: CC(C)(N)C(=O)NC(COCc1ccccc1)C(=O)Nc1cn(CC(=O)N2CCc3ccccc32)cn1
• InChI: InChI=1S/C27H32N6O4/c1-27(2,28)26(36)30-21(17-37-16-19-8-4-3-5-9-19)25(35)31-23-14-32(18-29-23)15-24(34)33-13-12-20-10-6-7-11-22(20)33/h3-11,14,18,21H,12-13,15-17,28H2,1-2H3,(H,30,36)(H,31,35)
• InChIKey: CCDULWHTYSGINF-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 131.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.59
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?

The IUPAC name of 2-amino-N-[1-[[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide (CID 20711040) is 2-amino-N-[1-[[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide.

What is the SMILES notation for 2-amino-N-[1-[[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?

The canonical SMILES for 2-amino-N-[1-[[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide is CC(C)(N)C(=O)NC(COCc1ccccc1)C(=O)Nc1cn(CC(=O)N2CCc3ccccc32)cn1.

What is the InChIKey of 2-amino-N-[1-[[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?

The InChIKey is CCDULWHTYSGINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O4/c1-27(2,28)26(36)30-21(17-37-16-19-8-4-3-5-9-19)25(35)31-23-14-32(18-29-23)15-24(34)33-13-12-20-10-6-7-11-22(20)33/h3-11,14,18,21H,12-13,15-17,28H2,1-2H3,(H,30,36)(H,31,35).

What are the key properties of 2-amino-N-[1-[[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?

2-amino-N-[1-[[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide has a molecular weight of 504.59 g/mol, XLogP of 1.85, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-[[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 20711040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).