CID 59804572

C20H37N3O5Si — CID 59804572

IUPAC—
SMILESCO[Si]CCCN(C)C(=O)NCC1(C)CC(NC(=O)OCC2CO2)CC(C)(C)C1
InChIInChI=1S/C20H37N3O5Si/c1-19(2)9-15(22-18(25)28-12-16-11-27-16)10-20(3,13-19)14-21-17(24)23(4)7-6-8-29-26-5/h15-16H,6-14H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyQOXDWPDXWSRFSQ-UHFFFAOYSA-N
MW427.62 g/mol
LogP2.41
Rot. Bonds10

About CID 59804572

CID 59804572 (PubChem CID 59804572) has the molecular formula C20H37N3O5Si and a molecular weight of 427.62 g/mol.

Molecular Properties

Compound NameCID 59804572
PubChem CID59804572
Molecular FormulaC20H37N3O5Si
Molecular Weight427.62 g/mol
Exact Mass427.25
IUPAC Name—
SMILESCO[Si]CCCN(C)C(=O)NCC1(C)CC(NC(=O)OCC2CO2)CC(C)(C)C1
InChIInChI=1S/C20H37N3O5Si/c1-19(2)9-15(22-18(25)28-12-16-11-27-16)10-20(3,13-19)14-21-17(24)23(4)7-6-8-29-26-5/h15-16H,6-14H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyQOXDWPDXWSRFSQ-UHFFFAOYSA-N
XLogP2.41
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.62
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 59804598
CID 59804598
oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate
CID 123869040
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
methyl 2-[[5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methylcarbamoyl-methylamino]acetate
CID 118911938
3-[(1R,3R)-3-[(dimethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-1,1-dimethylurea
CID 3084763
methyl N-[[5-[2-(methoxycarbonylamino)ethoxycarbonylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate
CID 118911971
2-hydroxyethyl N-[3-[(2-hydroxyethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 122370708
[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
oxiran-2-ylmethyl N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamate
CID 59804592
[3-prop-2-enoyloxy-2-[[3,3,5-trimethyl-5-[(oxiran-2-ylmethoxycarbonylamino)methyl]cyclohexyl]carbamoyloxy]propyl] 2-methylprop-2-enoate
CID 89121031
2-butoxyethyl N-[3-[(2-butoxyethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 67181830

Frequently Asked Questions

What is the IUPAC name of CID 59804572?
The IUPAC name of CID 59804572 (CID 59804572) is not available.
What is the SMILES notation for CID 59804572?
The canonical SMILES for CID 59804572 is CO[Si]CCCN(C)C(=O)NCC1(C)CC(NC(=O)OCC2CO2)CC(C)(C)C1.
What is the InChIKey of CID 59804572?
The InChIKey is QOXDWPDXWSRFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O5Si/c1-19(2)9-15(22-18(25)28-12-16-11-27-16)10-20(3,13-19)14-21-17(24)23(4)7-6-8-29-26-5/h15-16H,6-14H2,1-5H3,(H,21,24)(H,22,25).
What are the key properties of CID 59804572?
CID 59804572 has a molecular weight of 427.62 g/mol, XLogP of 2.41, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59804572 is sourced from PubChem (CID 59804572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).