oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate

C21H41N3O4Si — CID 123869040

IUPACoxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate
SMILESC[SiH2]C(C)CCN(C)C(=O)NC1CC(C)(C)CC(C)(CNC(=O)OCC2CO2)C1
InChIInChI=1S/C21H41N3O4Si/c1-15(29-6)7-8-24(5)18(25)23-16-9-20(2,3)13-21(4,10-16)14-22-19(26)28-12-17-11-27-17/h15-17H,7-14,29H2,1-6H3,(H,22,26)(H,23,25)
InChIKeyJRTVPYRNSAHFAN-UHFFFAOYSA-N
MW427.66 g/mol
LogP2.75
Rot. Bonds9

About oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate

oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate (PubChem CID 123869040) has the molecular formula C21H41N3O4Si and a molecular weight of 427.66 g/mol. Its IUPAC name is oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate
PubChem CID123869040
Molecular FormulaC21H41N3O4Si
Molecular Weight427.66 g/mol
Exact Mass427.29
IUPAC Nameoxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate
SMILESC[SiH2]C(C)CCN(C)C(=O)NC1CC(C)(C)CC(C)(CNC(=O)OCC2CO2)C1
InChIInChI=1S/C21H41N3O4Si/c1-15(29-6)7-8-24(5)18(25)23-16-9-20(2,3)13-21(4,10-16)14-22-19(26)28-12-17-11-27-17/h15-17H,7-14,29H2,1-6H3,(H,22,26)(H,23,25)
InChIKeyJRTVPYRNSAHFAN-UHFFFAOYSA-N
XLogP2.75
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.66
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate with MolForge

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Related Compounds

CID 59804598
CID 59804598
CID 59804572
CID 59804572
oxiran-2-ylmethyl N-[[5-[bis(3-methylsilylpropyl)carbamoylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[5-[[3-[ethoxy(methyl)silyl]propyl-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate;oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-(3-methylsilylpropylcarbamoylamino)cyclohexyl]methyl]carbamate;S-(thiiran-2-ylmethyl) N-[[1,3,3-trimethyl-5-(3-methylsilylpropylsulfanylcarbonylamino)cyclohexyl]methyl]carbamothioate
CID 123869037
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-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
[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-methoxyethyl N-[[5-(butan-2-yloxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate
CID 130346361

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate?
The IUPAC name of oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate (CID 123869040) is oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate.
What is the SMILES notation for oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate?
The canonical SMILES for oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate is C[SiH2]C(C)CCN(C)C(=O)NC1CC(C)(C)CC(C)(CNC(=O)OCC2CO2)C1.
What is the InChIKey of oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate?
The InChIKey is JRTVPYRNSAHFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3O4Si/c1-15(29-6)7-8-24(5)18(25)23-16-9-20(2,3)13-21(4,10-16)14-22-19(26)28-12-17-11-27-17/h15-17H,7-14,29H2,1-6H3,(H,22,26)(H,23,25).
What are the key properties of oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate?
oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate has a molecular weight of 427.66 g/mol, XLogP of 2.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 123869040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).