N-[4-[[(3S,3'S,4'R,5'S)-5-(N-formylanilino)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide

C37H39N3O6Si — CID 23844403

IUPACN-[4-[[(3S,3'S,4'R,5'S)-5-(N-formylanilino)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide
SMILESC[C@@H]1[C@@H]([Si](C)(C)O)[C@H](CCO)O[C@@]12C(=O)N(Cc1ccc(N(C=O)c3ccccc3)cc1)c1ccc(N(C=O)c3ccccc3)cc12
InChIInChI=1S/C37H39N3O6Si/c1-26-35(47(2,3)45)34(20-21-41)46-37(26)32-22-31(40(25-43)29-12-8-5-9-13-29)18-19-33(32)38(36(37)44)23-27-14-16-30(17-15-27)39(24-42)28-10-6-4-7-11-28/h4-19,22,24-26,34-35,41,45H,20-21,23H2,1-3H3/t26-,34+,35-,37+/m1/s1
InChIKeyZSLZXSSNMWHOMB-DMXLNXCISA-N
MW649.82 g/mol
LogP6.00
Rot. Bonds11

About N-[4-[[(3S,3'S,4'R,5'S)-5-(N-formylanilino)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide

N-[4-[[(3S,3'S,4'R,5'S)-5-(N-formylanilino)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide (PubChem CID 23844403) has the molecular formula C37H39N3O6Si and a molecular weight of 649.82 g/mol. Its IUPAC name is N-[4-[[(3S,3'S,4'R,5'S)-5-(N-formylanilino)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide.

Molecular Properties

Compound NameN-[4-[[(3S,3'S,4'R,5'S)-5-(N-formylanilino)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide
PubChem CID23844403
Molecular FormulaC37H39N3O6Si
Molecular Weight649.82 g/mol
Exact Mass649.26
IUPAC NameN-[4-[[(3S,3'S,4'R,5'S)-5-(N-formylanilino)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide
SMILESC[C@@H]1[C@@H]([Si](C)(C)O)[C@H](CCO)O[C@@]12C(=O)N(Cc1ccc(N(C=O)c3ccccc3)cc1)c1ccc(N(C=O)c3ccccc3)cc12
InChIInChI=1S/C37H39N3O6Si/c1-26-35(47(2,3)45)34(20-21-41)46-37(26)32-22-31(40(25-43)29-12-8-5-9-13-29)18-19-33(32)38(36(37)44)23-27-14-16-30(17-15-27)39(24-42)28-10-6-4-7-11-28/h4-19,22,24-26,34-35,41,45H,20-21,23H2,1-3H3/t26-,34+,35-,37+/m1/s1
InChIKeyZSLZXSSNMWHOMB-DMXLNXCISA-N
XLogP6.00
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.82
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[[(3S,3'S,4'R,5'S)-5-(N-formylanilino)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide with MolForge

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Related Compounds

N-[4-[[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-methoxy-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide
CID 23845593
N-[4-[[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-5-nitro-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide
CID 23873215
N-[(3R,3'R,4'S,5'R)-1-benzyl-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-N-phenylformamide
CID 23929701
(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-iodo-1-[(4-iodophenyl)methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one
CID 23928401
N-benzyl-2-[(2'R,3R,3'S,4'R)-1-[[4-(N-formylanilino)phenyl]methyl]-3'-[hydroxy(dimethyl)silyl]-4'-methyl-5-nitro-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
CID 23901314
N-[4-[[(3R,3'R,4'S,5'R)-5-(N-formylanilino)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide
CID 23900855
N-[3-[[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide
CID 23873590
(2S)-N-[(3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide
CID 23844401
5-[4-[[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxo-5-(6-oxobenzo[b][1,4]benzoxazepin-5-yl)spiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzo[b][1,4]benzoxazepin-6-one
CID 23786765
N-[4-[[(3R,3'R,4'S,5'R)-5-bromo-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide
CID 23758853
(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-iodo-1-[(4-iodophenyl)methyl]-3'-methylspiro[indole-3,2'-oxolane]-2-one
CID 23815706
N-[(3R,3'S,5'S)-5'-(2-hydroxyethyl)-3'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,2'-oxolane]-5-yl]-N-phenylformamide
CID 23902388

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3S,3'S,4'R,5'S)-5-(N-formylanilino)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide?
The IUPAC name of N-[4-[[(3S,3'S,4'R,5'S)-5-(N-formylanilino)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide (CID 23844403) is N-[4-[[(3S,3'S,4'R,5'S)-5-(N-formylanilino)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide.
What is the SMILES notation for N-[4-[[(3S,3'S,4'R,5'S)-5-(N-formylanilino)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide?
The canonical SMILES for N-[4-[[(3S,3'S,4'R,5'S)-5-(N-formylanilino)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide is C[C@@H]1[C@@H]([Si](C)(C)O)[C@H](CCO)O[C@@]12C(=O)N(Cc1ccc(N(C=O)c3ccccc3)cc1)c1ccc(N(C=O)c3ccccc3)cc12.
What is the InChIKey of N-[4-[[(3S,3'S,4'R,5'S)-5-(N-formylanilino)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide?
The InChIKey is ZSLZXSSNMWHOMB-DMXLNXCISA-N. The full InChI is InChI=1S/C37H39N3O6Si/c1-26-35(47(2,3)45)34(20-21-41)46-37(26)32-22-31(40(25-43)29-12-8-5-9-13-29)18-19-33(32)38(36(37)44)23-27-14-16-30(17-15-27)39(24-42)28-10-6-4-7-11-28/h4-19,22,24-26,34-35,41,45H,20-21,23H2,1-3H3/t26-,34+,35-,37+/m1/s1.
What are the key properties of N-[4-[[(3S,3'S,4'R,5'S)-5-(N-formylanilino)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide?
N-[4-[[(3S,3'S,4'R,5'S)-5-(N-formylanilino)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide has a molecular weight of 649.82 g/mol, XLogP of 6.00, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3S,3'S,4'R,5'S)-5-(N-formylanilino)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide is sourced from PubChem (CID 23844403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).