2-amino-N-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]-2-methylpropanamide

C27H28F4N4O5 — CID 122459899

IUPAC2-amino-N-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]-2-methylpropanamide
SMILESC[C@H](N(Cc1ccc(F)cc1)C(=O)CN1CO[C@]2(C(=O)Cc3cc(NC(=O)C(C)(C)N)ccc32)C1=O)C(F)(F)F
InChIInChI=1S/C27H28F4N4O5/c1-15(27(29,30)31)35(12-16-4-6-18(28)7-5-16)22(37)13-34-14-40-26(24(34)39)20-9-8-19(10-17(20)11-21(26)36)33-23(38)25(2,3)32/h4-10,15H,11-14,32H2,1-3H3,(H,33,38)/t15-,26+/m0/s1
InChIKeyRADZDVGSUUQFNR-QWXGXRTQSA-N
MW564.54 g/mol
LogP2.62
Rot. Bonds7

About 2-amino-N-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]-2-methylpropanamide

2-amino-N-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]-2-methylpropanamide (PubChem CID 122459899) has the molecular formula C27H28F4N4O5 and a molecular weight of 564.54 g/mol. Its IUPAC name is 2-amino-N-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]-2-methylpropanamide
PubChem CID122459899
Molecular FormulaC27H28F4N4O5
Molecular Weight564.54 g/mol
Exact Mass564.20
IUPAC Name2-amino-N-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]-2-methylpropanamide
SMILESC[C@H](N(Cc1ccc(F)cc1)C(=O)CN1CO[C@]2(C(=O)Cc3cc(NC(=O)C(C)(C)N)ccc32)C1=O)C(F)(F)F
InChIInChI=1S/C27H28F4N4O5/c1-15(27(29,30)31)35(12-16-4-6-18(28)7-5-16)22(37)13-34-14-40-26(24(34)39)20-9-8-19(10-17(20)11-21(26)36)33-23(38)25(2,3)32/h4-10,15H,11-14,32H2,1-3H3,(H,33,38)/t15-,26+/m0/s1
InChIKeyRADZDVGSUUQFNR-QWXGXRTQSA-N
XLogP2.62
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.54
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-amino-N-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]-2-methylpropanamide 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 2-amino-N-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]-2-methylpropanamide (CID 122459899) is 2-amino-N-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]-2-methylpropanamide is C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1CO[C@]2(C(=O)Cc3cc(NC(=O)C(C)(C)N)ccc32)C1=O)C(F)(F)F.
What is the InChIKey of 2-amino-N-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]-2-methylpropanamide?
The InChIKey is RADZDVGSUUQFNR-QWXGXRTQSA-N. The full InChI is InChI=1S/C27H28F4N4O5/c1-15(27(29,30)31)35(12-16-4-6-18(28)7-5-16)22(37)13-34-14-40-26(24(34)39)20-9-8-19(10-17(20)11-21(26)36)33-23(38)25(2,3)32/h4-10,15H,11-14,32H2,1-3H3,(H,33,38)/t15-,26+/m0/s1.
What are the key properties of 2-amino-N-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]-2-methylpropanamide?
2-amino-N-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]-2-methylpropanamide has a molecular weight of 564.54 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]-2-methylpropanamide is sourced from PubChem (CID 122459899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).