N-benzyl-2-[(2'R,3R,3'S,4'S)-1-benzyl-3'-(2-hydroxypropan-2-yl)-4'-methyl-2-oxo-5-(2-oxoazetidin-1-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide

C36H41N3O6 — CID 23930510

IUPACN-benzyl-2-[(2'R,3R,3'S,4'S)-1-benzyl-3'-(2-hydroxypropan-2-yl)-4'-methyl-2-oxo-5-(2-oxoazetidin-1-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
SMILESC[C@H]1[C@H](C(C)(C)O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)O[C@]12C(=O)N(Cc1ccccc1)c1ccc(N3CCC3=O)cc12
InChIInChI=1S/C36H41N3O6/c1-24-33(35(2,3)44)30(21-32(42)37(18-19-40)22-25-10-6-4-7-11-25)45-36(24)28-20-27(38-17-16-31(38)41)14-15-29(28)39(34(36)43)23-26-12-8-5-9-13-26/h4-15,20,24,30,33,40,44H,16-19,21-23H2,1-3H3/t24-,30+,33-,36+/m0/s1
InChIKeyPCOQBENADSGTLS-PVBFUHCJSA-N
MW611.74 g/mol
LogP4.00
Rot. Bonds10

About N-benzyl-2-[(2'R,3R,3'S,4'S)-1-benzyl-3'-(2-hydroxypropan-2-yl)-4'-methyl-2-oxo-5-(2-oxoazetidin-1-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide

N-benzyl-2-[(2'R,3R,3'S,4'S)-1-benzyl-3'-(2-hydroxypropan-2-yl)-4'-methyl-2-oxo-5-(2-oxoazetidin-1-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 23930510) has the molecular formula C36H41N3O6 and a molecular weight of 611.74 g/mol. Its IUPAC name is N-benzyl-2-[(2'R,3R,3'S,4'S)-1-benzyl-3'-(2-hydroxypropan-2-yl)-4'-methyl-2-oxo-5-(2-oxoazetidin-1-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2'R,3R,3'S,4'S)-1-benzyl-3'-(2-hydroxypropan-2-yl)-4'-methyl-2-oxo-5-(2-oxoazetidin-1-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID23930510
Molecular FormulaC36H41N3O6
Molecular Weight611.74 g/mol
Exact Mass611.30
IUPAC NameN-benzyl-2-[(2'R,3R,3'S,4'S)-1-benzyl-3'-(2-hydroxypropan-2-yl)-4'-methyl-2-oxo-5-(2-oxoazetidin-1-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
SMILESC[C@H]1[C@H](C(C)(C)O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)O[C@]12C(=O)N(Cc1ccccc1)c1ccc(N3CCC3=O)cc12
InChIInChI=1S/C36H41N3O6/c1-24-33(35(2,3)44)30(21-32(42)37(18-19-40)22-25-10-6-4-7-11-25)45-36(24)28-20-27(38-17-16-31(38)41)14-15-29(28)39(34(36)43)23-26-12-8-5-9-13-26/h4-15,20,24,30,33,40,44H,16-19,21-23H2,1-3H3/t24-,30+,33-,36+/m0/s1
InChIKeyPCOQBENADSGTLS-PVBFUHCJSA-N
XLogP4.00
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.74
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-benzyl-2-[(2'R,3R,3'S,4'S)-1-benzyl-3'-(2-hydroxypropan-2-yl)-4'-methyl-2-oxo-5-(2-oxoazetidin-1-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide with MolForge

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Related Compounds

N-benzyl-2-[(2'S,3S,3'R,4'R)-3'-(2-fluoropropan-2-yl)-4'-methyl-2-oxo-5-(2-oxopiperidin-1-yl)-1-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
CID 23930485
N-benzyl-N-(2-hydroxyethyl)-2-[(2'S,3S,3'R,4'R)-3'-(2-hydroxypropan-2-yl)-4'-methyl-2-oxo-5-(2-oxobenzo[cd]indol-1-yl)-1-[[4-(2-oxobenzo[cd]indol-1-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]acetamide
CID 23930487
(3S,3'R,4'R,5'S)-1-benzyl-4'-(2-fluoropropan-2-yl)-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxoazetidin-1-yl)spiro[indole-3,2'-oxolane]-2-one
CID 23846599
N-benzyl-2-[(2'R,3R,3'S,4'R)-1-benzyl-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxo-5-(2-oxopiperidin-1-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
CID 23757591
N-benzyl-N-(2-hydroxyethyl)-2-[(2'S,3S,3'R,4'R)-3'-(2-hydroxypropan-2-yl)-4'-methyl-2-oxo-1-[[4-(2-oxobenzo[cd]indol-1-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]acetamide
CID 23874650
N-benzyl-2-[(2'S,3S,3'R,4'S)-3'-[hydroxy(dimethyl)silyl]-4'-methyl-5-nitro-2-oxo-1-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
CID 23817157
N-benzyl-2-[(2'R,3R,3'S,4'R)-5-bromo-3'-[hydroxy(dimethyl)silyl]-4'-methyl-2-oxo-1-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
CID 23873393
N-benzyl-2-[(2'R,3R,3'S,4'R)-5-bromo-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxo-1-[[4-(2-oxoazetidin-1-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
CID 23873342
N-benzyl-2-[(2'R,3R,3'S,4'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3'-[fluoro(dimethyl)silyl]-4'-methyl-2-oxo-5-(2-oxoazetidin-1-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
CID 23983960
(3S,3'R,4'R,5'S)-1-benzyl-4'-(2-fluoropropan-2-yl)-5'-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3'-methyl-5-(2-oxoazetidin-1-yl)spiro[indole-3,2'-oxolane]-2-one
CID 23958279
N-benzyl-2-[(2'R,3R,3'S,4'R)-1-benzyl-5-chloro-3'-[fluoro(dimethyl)silyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
CID 23873363
N-benzyl-2-[(2'S,3S,3'R,4'S)-3'-[hydroxy(dimethyl)silyl]-5-methoxy-4'-methyl-2-oxo-1-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
CID 23788306

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2'R,3R,3'S,4'S)-1-benzyl-3'-(2-hydroxypropan-2-yl)-4'-methyl-2-oxo-5-(2-oxoazetidin-1-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-benzyl-2-[(2'R,3R,3'S,4'S)-1-benzyl-3'-(2-hydroxypropan-2-yl)-4'-methyl-2-oxo-5-(2-oxoazetidin-1-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide (CID 23930510) is N-benzyl-2-[(2'R,3R,3'S,4'S)-1-benzyl-3'-(2-hydroxypropan-2-yl)-4'-methyl-2-oxo-5-(2-oxoazetidin-1-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[(2'R,3R,3'S,4'S)-1-benzyl-3'-(2-hydroxypropan-2-yl)-4'-methyl-2-oxo-5-(2-oxoazetidin-1-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-benzyl-2-[(2'R,3R,3'S,4'S)-1-benzyl-3'-(2-hydroxypropan-2-yl)-4'-methyl-2-oxo-5-(2-oxoazetidin-1-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide is C[C@H]1[C@H](C(C)(C)O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)O[C@]12C(=O)N(Cc1ccccc1)c1ccc(N3CCC3=O)cc12.
What is the InChIKey of N-benzyl-2-[(2'R,3R,3'S,4'S)-1-benzyl-3'-(2-hydroxypropan-2-yl)-4'-methyl-2-oxo-5-(2-oxoazetidin-1-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is PCOQBENADSGTLS-PVBFUHCJSA-N. The full InChI is InChI=1S/C36H41N3O6/c1-24-33(35(2,3)44)30(21-32(42)37(18-19-40)22-25-10-6-4-7-11-25)45-36(24)28-20-27(38-17-16-31(38)41)14-15-29(28)39(34(36)43)23-26-12-8-5-9-13-26/h4-15,20,24,30,33,40,44H,16-19,21-23H2,1-3H3/t24-,30+,33-,36+/m0/s1.
What are the key properties of N-benzyl-2-[(2'R,3R,3'S,4'S)-1-benzyl-3'-(2-hydroxypropan-2-yl)-4'-methyl-2-oxo-5-(2-oxoazetidin-1-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide?
N-benzyl-2-[(2'R,3R,3'S,4'S)-1-benzyl-3'-(2-hydroxypropan-2-yl)-4'-methyl-2-oxo-5-(2-oxoazetidin-1-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 611.74 g/mol, XLogP of 4.00, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2'R,3R,3'S,4'S)-1-benzyl-3'-(2-hydroxypropan-2-yl)-4'-methyl-2-oxo-5-(2-oxoazetidin-1-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 23930510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).