N-[10-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]decyl]-2-phenylacetamide

C41H48F4N4O5 — CID 166938521

IUPACN-[10-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]decyl]-2-phenylacetamide
SMILESC[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(NCCCCCCCCCCNC(=O)Cc4ccccc4)ccc32)C1=O)C(F)(F)F
InChIInChI=1S/C41H48F4N4O5/c1-29(41(43,44)45)48(27-31-15-17-33(42)18-16-31)37(51)28-49-38(52)40(54-39(49)53)22-21-32-26-34(19-20-35(32)40)46-23-11-6-4-2-3-5-7-12-24-47-36(50)25-30-13-9-8-10-14-30/h8-10,13-20,26,29,46H,2-7,11-12,21-25,27-28H2,1H3,(H,47,50)/t29-,40+/m0/s1
InChIKeyKMRIZUHWIFJATG-XJDVZLJJSA-N
MW752.85 g/mol
LogP7.82
Rot. Bonds19

About N-[10-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]decyl]-2-phenylacetamide

N-[10-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]decyl]-2-phenylacetamide (PubChem CID 166938521) has the molecular formula C41H48F4N4O5 and a molecular weight of 752.85 g/mol. Its IUPAC name is N-[10-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]decyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[10-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]decyl]-2-phenylacetamide
PubChem CID166938521
Molecular FormulaC41H48F4N4O5
Molecular Weight752.85 g/mol
Exact Mass752.36
IUPAC NameN-[10-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]decyl]-2-phenylacetamide
SMILESC[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(NCCCCCCCCCCNC(=O)Cc4ccccc4)ccc32)C1=O)C(F)(F)F
InChIInChI=1S/C41H48F4N4O5/c1-29(41(43,44)45)48(27-31-15-17-33(42)18-16-31)37(51)28-49-38(52)40(54-39(49)53)22-21-32-26-34(19-20-35(32)40)46-23-11-6-4-2-3-5-7-12-24-47-36(50)25-30-13-9-8-10-14-30/h8-10,13-20,26,29,46H,2-7,11-12,21-25,27-28H2,1H3,(H,47,50)/t29-,40+/m0/s1
InChIKeyKMRIZUHWIFJATG-XJDVZLJJSA-N
XLogP7.82
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.85
LogP ≤ 57.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[10-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]decyl]-2-phenylacetamide 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 N-[10-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]decyl]-2-phenylacetamide?
The IUPAC name of N-[10-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]decyl]-2-phenylacetamide (CID 166938521) is N-[10-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]decyl]-2-phenylacetamide.
What is the SMILES notation for N-[10-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]decyl]-2-phenylacetamide?
The canonical SMILES for N-[10-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]decyl]-2-phenylacetamide is C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(NCCCCCCCCCCNC(=O)Cc4ccccc4)ccc32)C1=O)C(F)(F)F.
What is the InChIKey of N-[10-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]decyl]-2-phenylacetamide?
The InChIKey is KMRIZUHWIFJATG-XJDVZLJJSA-N. The full InChI is InChI=1S/C41H48F4N4O5/c1-29(41(43,44)45)48(27-31-15-17-33(42)18-16-31)37(51)28-49-38(52)40(54-39(49)53)22-21-32-26-34(19-20-35(32)40)46-23-11-6-4-2-3-5-7-12-24-47-36(50)25-30-13-9-8-10-14-30/h8-10,13-20,26,29,46H,2-7,11-12,21-25,27-28H2,1H3,(H,47,50)/t29-,40+/m0/s1.
What are the key properties of N-[10-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]decyl]-2-phenylacetamide?
N-[10-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]decyl]-2-phenylacetamide has a molecular weight of 752.85 g/mol, XLogP of 7.82, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]decyl]-2-phenylacetamide is sourced from PubChem (CID 166938521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).