N-benzyl-2-[(2'R,3R,3'S,4'R)-3'-[hydroxy(dimethyl)silyl]-1,4'-dimethyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide

C29H37N3O7Si — CID 23815664

IUPACN-benzyl-2-[(2'R,3R,3'S,4'R)-3'-[hydroxy(dimethyl)silyl]-1,4'-dimethyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
SMILESC[C@H]1[C@H]([Si](C)(C)O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)O[C@]12C(=O)N(C)c1ccc(N3CCOC3=O)cc12
InChIInChI=1S/C29H37N3O7Si/c1-19-26(40(3,4)37)24(17-25(34)31(12-14-33)18-20-8-6-5-7-9-20)39-29(19)22-16-21(32-13-15-38-28(32)36)10-11-23(22)30(2)27(29)35/h5-11,16,19,24,26,33,37H,12-15,17-18H2,1-4H3/t19-,24+,26-,29+/m0/s1
InChIKeyUHSIIHQPQOOMKF-JRBDPINMSA-N
MW567.72 g/mol
LogP2.83
Rot. Bonds8

About N-benzyl-2-[(2'R,3R,3'S,4'R)-3'-[hydroxy(dimethyl)silyl]-1,4'-dimethyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide

N-benzyl-2-[(2'R,3R,3'S,4'R)-3'-[hydroxy(dimethyl)silyl]-1,4'-dimethyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 23815664) has the molecular formula C29H37N3O7Si and a molecular weight of 567.72 g/mol. Its IUPAC name is N-benzyl-2-[(2'R,3R,3'S,4'R)-3'-[hydroxy(dimethyl)silyl]-1,4'-dimethyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2'R,3R,3'S,4'R)-3'-[hydroxy(dimethyl)silyl]-1,4'-dimethyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID23815664
Molecular FormulaC29H37N3O7Si
Molecular Weight567.72 g/mol
Exact Mass567.24
IUPAC NameN-benzyl-2-[(2'R,3R,3'S,4'R)-3'-[hydroxy(dimethyl)silyl]-1,4'-dimethyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
SMILESC[C@H]1[C@H]([Si](C)(C)O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)O[C@]12C(=O)N(C)c1ccc(N3CCOC3=O)cc12
InChIInChI=1S/C29H37N3O7Si/c1-19-26(40(3,4)37)24(17-25(34)31(12-14-33)18-20-8-6-5-7-9-20)39-29(19)22-16-21(32-13-15-38-28(32)36)10-11-23(22)30(2)27(29)35/h5-11,16,19,24,26,33,37H,12-15,17-18H2,1-4H3/t19-,24+,26-,29+/m0/s1
InChIKeyUHSIIHQPQOOMKF-JRBDPINMSA-N
XLogP2.83
TPSA119.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.72
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-benzyl-2-[(2'R,3R,3'S,4'R)-3'-[hydroxy(dimethyl)silyl]-1,4'-dimethyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide with MolForge

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Related Compounds

N-benzyl-2-[(2'R,3R,3'S,4'R)-5-chloro-3'-[hydroxy(dimethyl)silyl]-1,4'-dimethyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
CID 23844344
N-benzyl-2-[(2'R,3R,3'S,4'R)-3'-[hydroxy(dimethyl)silyl]-1,4'-dimethyl-2-oxo-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
CID 23872396
N-benzyl-2-[(2'R,3R,3'S,4'R)-3'-[hydroxy(dimethyl)silyl]-5-methoxy-1,4'-dimethyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
CID 23956148
methyl 5-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[fluoro(dimethyl)silyl]-3'-methyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate
CID 23758021
[1-[(3R,3'R,4'S,5'R)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[hydroxy(dimethyl)silyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-4-oxoazetidin-2-yl] acetate
CID 23786733
N-benzyl-2-[(2'R,3R,3'S,4'R)-3'-[hydroxy(dimethyl)silyl]-4'-methyl-5-nitro-2-oxo-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
CID 23901319
N-benzyl-2-[(2'R,3R,3'S,4'R)-3'-[fluoro(dimethyl)silyl]-5-iodo-1,4'-dimethyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
CID 23956138
N-benzyl-2-[(2'R,3R,3'S,4'R)-5-bromo-3'-[fluoro(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
CID 23787975
N-benzyl-2-[(2'R,3R,3'S,4'R)-5-bromo-3'-[hydroxy(dimethyl)silyl]-4'-methyl-2-oxo-1-phenylspiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
CID 23757499
N-benzyl-2-[(2'R,3R,3'S,4'R)-3'-[hydroxy(dimethyl)silyl]-4'-methyl-2-oxo-5-(3-oxo-1,4-benzoxazin-4-yl)-1-[[3-(3-oxo-1,4-benzoxazin-4-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
CID 23872947
4-amino-N-[(3R,3'R,4'S,5'R)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[fluoro(dimethyl)silyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]benzamide
CID 23956139
N-benzyl-N-(2-hydroxyethyl)-2-[(2'R,3R,3'S,4'R)-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxo-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]acetamide
CID 23777756

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2'R,3R,3'S,4'R)-3'-[hydroxy(dimethyl)silyl]-1,4'-dimethyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-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'R)-3'-[hydroxy(dimethyl)silyl]-1,4'-dimethyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide (CID 23815664) is N-benzyl-2-[(2'R,3R,3'S,4'R)-3'-[hydroxy(dimethyl)silyl]-1,4'-dimethyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-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'R)-3'-[hydroxy(dimethyl)silyl]-1,4'-dimethyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-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'R)-3'-[hydroxy(dimethyl)silyl]-1,4'-dimethyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide is C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)O[C@]12C(=O)N(C)c1ccc(N3CCOC3=O)cc12.
What is the InChIKey of N-benzyl-2-[(2'R,3R,3'S,4'R)-3'-[hydroxy(dimethyl)silyl]-1,4'-dimethyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is UHSIIHQPQOOMKF-JRBDPINMSA-N. The full InChI is InChI=1S/C29H37N3O7Si/c1-19-26(40(3,4)37)24(17-25(34)31(12-14-33)18-20-8-6-5-7-9-20)39-29(19)22-16-21(32-13-15-38-28(32)36)10-11-23(22)30(2)27(29)35/h5-11,16,19,24,26,33,37H,12-15,17-18H2,1-4H3/t19-,24+,26-,29+/m0/s1.
What are the key properties of N-benzyl-2-[(2'R,3R,3'S,4'R)-3'-[hydroxy(dimethyl)silyl]-1,4'-dimethyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide?
N-benzyl-2-[(2'R,3R,3'S,4'R)-3'-[hydroxy(dimethyl)silyl]-1,4'-dimethyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 567.72 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2'R,3R,3'S,4'R)-3'-[hydroxy(dimethyl)silyl]-1,4'-dimethyl-2-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 23815664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).