2-amino-N-[(2R)-1-[ethyl-[[3-(4-fluorophenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide

C32H41FN4O4 — CID 58719414

About 2-amino-N-[(2R)-1-[ethyl-[[3-(4-fluorophenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide

2-amino-N-[(2R)-1-[ethyl-[[3-(4-fluorophenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide (PubChem CID 58719414) has the molecular formula C32H41FN4O4 and a molecular weight of 564.70 g/mol. Its IUPAC name is 2-amino-N-[(2R)-1-[ethyl-[[3-(4-fluorophenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-amino-N-[(2R)-1-[ethyl-[[3-(4-fluorophenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
• PubChem CID: 58719414
• Molecular Formula: C32H41FN4O4
• Molecular Weight: 564.70 g/mol
• Exact Mass: 564.31
• IUPAC Name: 2-amino-N-[(2R)-1-[ethyl-[[3-(4-fluorophenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
• SMILES: CCN(CC1=C(c2ccc(F)cc2)C(=O)NC12CCCCC2)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N
• InChI: InChI=1S/C32H41FN4O4/c1-4-37(29(39)26(35-30(40)31(2,3)34)21-41-20-22-11-7-5-8-12-22)19-25-27(23-13-15-24(33)16-14-23)28(38)36-32(25)17-9-6-10-18-32/h5,7-8,11-16,26H,4,6,9-10,17-21,34H2,1-3H3,(H,35,40)(H,36,38)/t26-/m1/s1
• InChIKey: FQZJBTAPCANSLU-AREMUKBSSA-N
• XLogP: 3.70
• TPSA: 113.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.70
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-1-[ethyl-[[3-(4-fluorophenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?

The IUPAC name of 2-amino-N-[(2R)-1-[ethyl-[[3-(4-fluorophenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide (CID 58719414) is 2-amino-N-[(2R)-1-[ethyl-[[3-(4-fluorophenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide.

What is the SMILES notation for 2-amino-N-[(2R)-1-[ethyl-[[3-(4-fluorophenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?

The canonical SMILES for 2-amino-N-[(2R)-1-[ethyl-[[3-(4-fluorophenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide is CCN(CC1=C(c2ccc(F)cc2)C(=O)NC12CCCCC2)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N.

What is the InChIKey of 2-amino-N-[(2R)-1-[ethyl-[[3-(4-fluorophenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?

The InChIKey is FQZJBTAPCANSLU-AREMUKBSSA-N. The full InChI is InChI=1S/C32H41FN4O4/c1-4-37(29(39)26(35-30(40)31(2,3)34)21-41-20-22-11-7-5-8-12-22)19-25-27(23-13-15-24(33)16-14-23)28(38)36-32(25)17-9-6-10-18-32/h5,7-8,11-16,26H,4,6,9-10,17-21,34H2,1-3H3,(H,35,40)(H,36,38)/t26-/m1/s1.

What are the key properties of 2-amino-N-[(2R)-1-[ethyl-[[3-(4-fluorophenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?

2-amino-N-[(2R)-1-[ethyl-[[3-(4-fluorophenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide has a molecular weight of 564.70 g/mol, XLogP of 3.70, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(2R)-1-[ethyl-[[3-(4-fluorophenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]methyl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 58719414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).