N-[3-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide

C39H49N3O5Si — CID 23985546

IUPACN-[3-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide
SMILESCOc1ccc([Si](C)(C)[C@@H]2[C@@H](C)[C@@H](CCc3cccc(NC(=O)Cc4c[nH]c5ccccc45)c3)O[C@H]2CC(=O)N2CCC[C@H]2CO)cc1
InChIInChI=1S/C39H49N3O5Si/c1-26-35(19-14-27-9-7-10-29(21-27)41-37(44)22-28-24-40-34-13-6-5-12-33(28)34)47-36(23-38(45)42-20-8-11-30(42)25-43)39(26)48(3,4)32-17-15-31(46-2)16-18-32/h5-7,9-10,12-13,15-18,21,24,26,30,35-36,39-40,43H,8,11,14,19-20,22-23,25H2,1-4H3,(H,41,44)/t26-,30-,35+,36-,39+/m0/s1
InChIKeyXNBVLKLYPWPDHW-VSAFWAOVSA-N
MW667.92 g/mol
LogP6.05
Rot. Bonds12

About N-[3-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide

N-[3-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 23985546) has the molecular formula C39H49N3O5Si and a molecular weight of 667.92 g/mol. Its IUPAC name is N-[3-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide
PubChem CID23985546
Molecular FormulaC39H49N3O5Si
Molecular Weight667.92 g/mol
Exact Mass667.34
IUPAC NameN-[3-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide
SMILESCOc1ccc([Si](C)(C)[C@@H]2[C@@H](C)[C@@H](CCc3cccc(NC(=O)Cc4c[nH]c5ccccc45)c3)O[C@H]2CC(=O)N2CCC[C@H]2CO)cc1
InChIInChI=1S/C39H49N3O5Si/c1-26-35(19-14-27-9-7-10-29(21-27)41-37(44)22-28-24-40-34-13-6-5-12-33(28)34)47-36(23-38(45)42-20-8-11-30(42)25-43)39(26)48(3,4)32-17-15-31(46-2)16-18-32/h5-7,9-10,12-13,15-18,21,24,26,30,35-36,39-40,43H,8,11,14,19-20,22-23,25H2,1-4H3,(H,41,44)/t26-,30-,35+,36-,39+/m0/s1
InChIKeyXNBVLKLYPWPDHW-VSAFWAOVSA-N
XLogP6.05
TPSA103.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.92
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-(2-hydroxyethyl)-2-[(2S,3R,4S,5R)-5-[2-[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]ethyl]-3-[(4-methoxyphenyl)-dimethylsilyl]-4-methyloxolan-2-yl]acetamide
CID 23929909
N-[(3S,3'S,4'R,5'S)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-2-(1H-indol-3-yl)acetamide
CID 23758116
N-[(3S,3'S,4'R,5'S)-1-benzyl-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-(1H-indol-3-yl)acetamide
CID 23817303
N-[3-[[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-5-nitro-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide
CID 23845506
N-[4-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide
CID 23985543
(2R)-N-[3-[2-[(2S,3R,4S,5R)-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]pyrrolidine-2-carboxamide
CID 23901832
3-[4-[2-[(2S,3R,4S,5R)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23929865
N-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide
CID 23929824
2-[(2R,3S,4R,5S)-3-[hydroxy(dimethyl)silyl]-4-methyl-5-(2-phenylethyl)oxolan-2-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 23929872
N-[(3S,3'S,4'R,5'S)-1-benzyl-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-(1H-indol-3-yl)acetamide
CID 23985387
3-[3-[2-[(2S,3R,4S,5R)-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 23985483
3-[3-[2-[(2R,3S,4R,5S)-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 23759650

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[3-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide (CID 23985546) is N-[3-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[3-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[3-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide is COc1ccc([Si](C)(C)[C@@H]2[C@@H](C)[C@@H](CCc3cccc(NC(=O)Cc4c[nH]c5ccccc45)c3)O[C@H]2CC(=O)N2CCC[C@H]2CO)cc1.
What is the InChIKey of N-[3-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is XNBVLKLYPWPDHW-VSAFWAOVSA-N. The full InChI is InChI=1S/C39H49N3O5Si/c1-26-35(19-14-27-9-7-10-29(21-27)41-37(44)22-28-24-40-34-13-6-5-12-33(28)34)47-36(23-38(45)42-20-8-11-30(42)25-43)39(26)48(3,4)32-17-15-31(46-2)16-18-32/h5-7,9-10,12-13,15-18,21,24,26,30,35-36,39-40,43H,8,11,14,19-20,22-23,25H2,1-4H3,(H,41,44)/t26-,30-,35+,36-,39+/m0/s1.
What are the key properties of N-[3-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide?
N-[3-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 667.92 g/mol, XLogP of 6.05, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 23985546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).