CID 59804598

C22H42N3O5Si — CID 59804598

IUPAC—
SMILESCCO[Si](C)CCCN(C)C(=O)NC1CC(C)(C)CC(C)(CNC(=O)OCC2CO2)C1
InChIInChI=1S/C22H42N3O5Si/c1-7-30-31(6)10-8-9-25(5)19(26)24-17-11-21(2,3)15-22(4,12-17)16-23-20(27)29-14-18-13-28-18/h17-18H,7-16H2,1-6H3,(H,23,27)(H,24,26)
InChIKeyFWSLGLCDTHLSSC-UHFFFAOYSA-N
MW456.68 g/mol
LogP3.39
Rot. Bonds11

About CID 59804598

CID 59804598 (PubChem CID 59804598) has the molecular formula C22H42N3O5Si and a molecular weight of 456.68 g/mol.

Molecular Properties

Compound NameCID 59804598
PubChem CID59804598
Molecular FormulaC22H42N3O5Si
Molecular Weight456.68 g/mol
Exact Mass456.29
IUPAC Name—
SMILESCCO[Si](C)CCCN(C)C(=O)NC1CC(C)(C)CC(C)(CNC(=O)OCC2CO2)C1
InChIInChI=1S/C22H42N3O5Si/c1-7-30-31(6)10-8-9-25(5)19(26)24-17-11-21(2,3)15-22(4,12-17)16-23-20(27)29-14-18-13-28-18/h17-18H,7-16H2,1-6H3,(H,23,27)(H,24,26)
InChIKeyFWSLGLCDTHLSSC-UHFFFAOYSA-N
XLogP3.39
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.68
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate
CID 123869040
CID 59804572
CID 59804572
2-[[3,3,5-trimethyl-5-[(oxiran-2-ylmethoxycarbonylamino)methyl]cyclohexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 89121059
3-(dimethylamino)propyl N-[3-[[3-(dimethylamino)propoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 156847292
[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propyl] N-[3-[[2,2-bis(oxiran-2-ylmethoxymethyl)butoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 20740591
2-butoxyethyl N-[3-[(2-butoxyethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 67181830
2-[[3,3,5-trimethyl-5-[[[4-[[1,3,3-trimethyl-5-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]cyclohexyl]methylcarbamoyloxymethyl]cyclohexyl]methoxycarbonylamino]methyl]cyclohexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 146238395
methyl 2-[[5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methylcarbamoyl-methylamino]acetate
CID 118911938
[3-prop-2-enoyloxy-2-[[3,3,5-trimethyl-5-[(oxiran-2-ylmethoxycarbonylamino)methyl]cyclohexyl]carbamoyloxy]propyl] 2-methylprop-2-enoate
CID 89121031
oxiran-2-ylmethyl N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamate
CID 59804592
3-[(1R,3R)-3-[(dimethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-1,1-dimethylurea
CID 3084763
2-hydroxyethyl N-[3-[(2-hydroxyethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 122370708

Frequently Asked Questions

What is the IUPAC name of CID 59804598?
The IUPAC name of CID 59804598 (CID 59804598) is not available.
What is the SMILES notation for CID 59804598?
The canonical SMILES for CID 59804598 is CCO[Si](C)CCCN(C)C(=O)NC1CC(C)(C)CC(C)(CNC(=O)OCC2CO2)C1.
What is the InChIKey of CID 59804598?
The InChIKey is FWSLGLCDTHLSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N3O5Si/c1-7-30-31(6)10-8-9-25(5)19(26)24-17-11-21(2,3)15-22(4,12-17)16-23-20(27)29-14-18-13-28-18/h17-18H,7-16H2,1-6H3,(H,23,27)(H,24,26).
What are the key properties of CID 59804598?
CID 59804598 has a molecular weight of 456.68 g/mol, XLogP of 3.39, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59804598 is sourced from PubChem (CID 59804598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).