2-amino-N-[(2R)-3-[(4-fluorophenyl)methoxy]-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxopropan-2-yl]-2-methylpropanamide

C29H37FN4O4 — CID 71060417

About 2-amino-N-[(2R)-3-[(4-fluorophenyl)methoxy]-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxopropan-2-yl]-2-methylpropanamide

2-amino-N-[(2R)-3-[(4-fluorophenyl)methoxy]-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxopropan-2-yl]-2-methylpropanamide (PubChem CID 71060417) has the molecular formula C29H37FN4O4 and a molecular weight of 524.64 g/mol. Its IUPAC name is 2-amino-N-[(2R)-3-[(4-fluorophenyl)methoxy]-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxopropan-2-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-amino-N-[(2R)-3-[(4-fluorophenyl)methoxy]-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxopropan-2-yl]-2-methylpropanamide
• PubChem CID: 71060417
• Molecular Formula: C29H37FN4O4
• Molecular Weight: 524.64 g/mol
• Exact Mass: 524.28
• IUPAC Name: 2-amino-N-[(2R)-3-[(4-fluorophenyl)methoxy]-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxopropan-2-yl]-2-methylpropanamide
• SMILES: CN1C[C@H](c2ccccc2)[C@]2(CCCN(C(=O)[C@@H](COCc3ccc(F)cc3)NC(=O)C(C)(C)N)C2)C1=O
• InChI: InChI=1S/C29H37FN4O4/c1-28(2,31)26(36)32-24(18-38-17-20-10-12-22(30)13-11-20)25(35)34-15-7-14-29(19-34)23(16-33(3)27(29)37)21-8-5-4-6-9-21/h4-6,8-13,23-24H,7,14-19,31H2,1-3H3,(H,32,36)/t23-,24-,29-/m1/s1
• InChIKey: UCPPTYZXCCKRPU-NDDXJGTKSA-N
• XLogP: 2.43
• TPSA: 104.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.64
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-3-[(4-fluorophenyl)methoxy]-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxopropan-2-yl]-2-methylpropanamide?

The IUPAC name of 2-amino-N-[(2R)-3-[(4-fluorophenyl)methoxy]-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxopropan-2-yl]-2-methylpropanamide (CID 71060417) is 2-amino-N-[(2R)-3-[(4-fluorophenyl)methoxy]-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxopropan-2-yl]-2-methylpropanamide.

What is the SMILES notation for 2-amino-N-[(2R)-3-[(4-fluorophenyl)methoxy]-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxopropan-2-yl]-2-methylpropanamide?

The canonical SMILES for 2-amino-N-[(2R)-3-[(4-fluorophenyl)methoxy]-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxopropan-2-yl]-2-methylpropanamide is CN1C[C@H](c2ccccc2)[C@]2(CCCN(C(=O)[C@@H](COCc3ccc(F)cc3)NC(=O)C(C)(C)N)C2)C1=O.

What is the InChIKey of 2-amino-N-[(2R)-3-[(4-fluorophenyl)methoxy]-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxopropan-2-yl]-2-methylpropanamide?

The InChIKey is UCPPTYZXCCKRPU-NDDXJGTKSA-N. The full InChI is InChI=1S/C29H37FN4O4/c1-28(2,31)26(36)32-24(18-38-17-20-10-12-22(30)13-11-20)25(35)34-15-7-14-29(19-34)23(16-33(3)27(29)37)21-8-5-4-6-9-21/h4-6,8-13,23-24H,7,14-19,31H2,1-3H3,(H,32,36)/t23-,24-,29-/m1/s1.

What are the key properties of 2-amino-N-[(2R)-3-[(4-fluorophenyl)methoxy]-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxopropan-2-yl]-2-methylpropanamide?

2-amino-N-[(2R)-3-[(4-fluorophenyl)methoxy]-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxopropan-2-yl]-2-methylpropanamide has a molecular weight of 524.64 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(2R)-3-[(4-fluorophenyl)methoxy]-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxopropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 71060417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).