N-[4-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide

About N-[4-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide

N-[4-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide (PubChem CID 23846026) has the molecular formula C29H40N4O5Si and a molecular weight of 552.75 g/mol. Its IUPAC name is N-[4-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name	N-[4-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide
PubChem CID	23846026
Molecular Formula	C29H40N4O5Si
Molecular Weight	552.75 g/mol
Exact Mass	552.28
IUPAC Name	N-[4-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide
SMILES	COc1ccc(C(=O)Nc2ccc(CC[C@H]3O[C@@H](CCn4cc(CCO)nn4)[C@H]([Si](C)(C)O)[C@H]3C)cc2)cc1
InChI	InChI=1S/C29H40N4O5Si/c1-20-26(38-27(28(20)39(3,4)36)15-17-33-19-24(16-18-34)31-32-33)14-7-21-5-10-23(11-6-21)30-29(35)22-8-12-25(37-2)13-9-22/h5-6,8-13,19-20,26-28,34,36H,7,14-18H2,1-4H3,(H,30,35)/t20-,26+,27-,28+/m0/s1
InChIKey	RYYHHLSMOPLEPN-PCULNXKLSA-N
XLogP	4.07
TPSA	118.73 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	12
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.75
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide?

The IUPAC name of N-[4-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide (CID 23846026) is N-[4-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide.

What is the SMILES notation for N-[4-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide?

The canonical SMILES for N-[4-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(CC[C@H]3O[C@@H](CCn4cc(CCO)nn4)[C@H]([Si](C)(C)O)[C@H]3C)cc2)cc1.

What is the InChIKey of N-[4-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide?

The InChIKey is RYYHHLSMOPLEPN-PCULNXKLSA-N. The full InChI is InChI=1S/C29H40N4O5Si/c1-20-26(38-27(28(20)39(3,4)36)15-17-33-19-24(16-18-34)31-32-33)14-7-21-5-10-23(11-6-21)30-29(35)22-8-12-25(37-2)13-9-22/h5-6,8-13,19-20,26-28,34,36H,7,14-18H2,1-4H3,(H,30,35)/t20-,26+,27-,28+/m0/s1.

What are the key properties of N-[4-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide?

N-[4-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide has a molecular weight of 552.75 g/mol, XLogP of 4.07, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 23846026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).