CID 66720265

C29H37FN2O6Si — CID 66720265

IUPAC—
SMILESCC(C)(C)[Si]OC(C)(C)[C@H]1CN(c2ccc(OCC3CCN(C(=O)OCc4ccccc4)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C29H37FN2O6Si/c1-28(2,3)39-38-29(4,5)25-17-32(27(34)37-25)22-11-12-24(23(30)15-22)35-19-21-13-14-31(16-21)26(33)36-18-20-9-7-6-8-10-20/h6-12,15,21,25H,13-14,16-19H2,1-5H3/t21?,25-/m1/s1
InChIKeyANBVPOZJYBIJGN-UIDYPRJRSA-N
MW556.71 g/mol
LogP5.82
Rot. Bonds9

About CID 66720265

CID 66720265 (PubChem CID 66720265) has the molecular formula C29H37FN2O6Si and a molecular weight of 556.71 g/mol.

Molecular Properties

Compound NameCID 66720265
PubChem CID66720265
Molecular FormulaC29H37FN2O6Si
Molecular Weight556.71 g/mol
Exact Mass556.24
IUPAC Name—
SMILESCC(C)(C)[Si]OC(C)(C)[C@H]1CN(c2ccc(OCC3CCN(C(=O)OCc4ccccc4)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C29H37FN2O6Si/c1-28(2,3)39-38-29(4,5)25-17-32(27(34)37-25)22-11-12-24(23(30)15-22)35-19-21-13-14-31(16-21)26(33)36-18-20-9-7-6-8-10-20/h6-12,15,21,25H,13-14,16-19H2,1-5H3/t21?,25-/m1/s1
InChIKeyANBVPOZJYBIJGN-UIDYPRJRSA-N
XLogP5.82
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.71
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 66733482
CID 66733482
benzyl 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperidine-1-carboxylate
CID 54088345
benzyl 3-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidine-1-carboxylate
CID 22625694
benzyl 4-[(5-acetyl-2-methoxyphenoxy)methyl]piperidine-1-carboxylate
CID 166624647
benzyl 4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carboxylate
CID 67054838
(5R)-3-[3-fluoro-4-(4-phenylmethoxycarbonylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 90829570
benzyl 4-[2,6-difluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylate
CID 91599707
(5R)-5-(aminomethyl)-3-[3-fluoro-4-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-1,3-oxazolidin-2-one
CID 86577499
benzyl 4-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrimidin-2-yl]piperazine-1-carboxylate
CID 10143894
benzyl 4-[2-fluoro-4-[5-[(4-methylphenyl)sulfonyloxymethyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylate
CID 76738945
benzyl (3S)-3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 58834378
benzyl (3S)-3-(bromomethyl)pyrrolidine-1-carboxylate
CID 96555481

Frequently Asked Questions

What is the IUPAC name of CID 66720265?
The IUPAC name of CID 66720265 (CID 66720265) is not available.
What is the SMILES notation for CID 66720265?
The canonical SMILES for CID 66720265 is CC(C)(C)[Si]OC(C)(C)[C@H]1CN(c2ccc(OCC3CCN(C(=O)OCc4ccccc4)C3)c(F)c2)C(=O)O1.
What is the InChIKey of CID 66720265?
The InChIKey is ANBVPOZJYBIJGN-UIDYPRJRSA-N. The full InChI is InChI=1S/C29H37FN2O6Si/c1-28(2,3)39-38-29(4,5)25-17-32(27(34)37-25)22-11-12-24(23(30)15-22)35-19-21-13-14-31(16-21)26(33)36-18-20-9-7-6-8-10-20/h6-12,15,21,25H,13-14,16-19H2,1-5H3/t21?,25-/m1/s1.
What are the key properties of CID 66720265?
CID 66720265 has a molecular weight of 556.71 g/mol, XLogP of 5.82, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66720265 is sourced from PubChem (CID 66720265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).