methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-16-(2-trimethylsilylethoxymethyl)-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaen-5-yl]carbamate

C24H37N5O4Si — CID 90200568

IUPACmethyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-16-(2-trimethylsilylethoxymethyl)-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaen-5-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N)c1nc-2cn1COCC[Si](C)(C)C
InChIInChI=1S/C24H37N5O4Si/c1-16-7-6-8-19(25)22-27-21(14-29(22)15-33-11-12-34(3,4)5)18-10-9-17(26-24(31)32-2)13-20(18)28-23(16)30/h9-10,13-14,16,19H,6-8,11-12,15,25H2,1-5H3,(H,26,31)(H,28,30)/t16-,19+/m1/s1
InChIKeyGTWFFWDLGQMWFK-APWZRJJASA-N
MW487.68 g/mol
LogP4.80
Rot. Bonds6

About methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-16-(2-trimethylsilylethoxymethyl)-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaen-5-yl]carbamate

methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-16-(2-trimethylsilylethoxymethyl)-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaen-5-yl]carbamate (PubChem CID 90200568) has the molecular formula C24H37N5O4Si and a molecular weight of 487.68 g/mol. Its IUPAC name is methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-16-(2-trimethylsilylethoxymethyl)-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaen-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-16-(2-trimethylsilylethoxymethyl)-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaen-5-yl]carbamate
PubChem CID90200568
Molecular FormulaC24H37N5O4Si
Molecular Weight487.68 g/mol
Exact Mass487.26
IUPAC Namemethyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-16-(2-trimethylsilylethoxymethyl)-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaen-5-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N)c1nc-2cn1COCC[Si](C)(C)C
InChIInChI=1S/C24H37N5O4Si/c1-16-7-6-8-19(25)22-27-21(14-29(22)15-33-11-12-34(3,4)5)18-10-9-17(26-24(31)32-2)13-20(18)28-23(16)30/h9-10,13-14,16,19H,6-8,11-12,15,25H2,1-5H3,(H,26,31)(H,28,30)/t16-,19+/m1/s1
InChIKeyGTWFFWDLGQMWFK-APWZRJJASA-N
XLogP4.80
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.68
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-16-(2-trimethylsilylethoxymethyl)-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaen-5-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-16-(2-trimethylsilylethoxymethyl)-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaen-5-yl]carbamate?
The IUPAC name of methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-16-(2-trimethylsilylethoxymethyl)-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaen-5-yl]carbamate (CID 90200568) is methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-16-(2-trimethylsilylethoxymethyl)-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaen-5-yl]carbamate.
What is the SMILES notation for methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-16-(2-trimethylsilylethoxymethyl)-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaen-5-yl]carbamate?
The canonical SMILES for methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-16-(2-trimethylsilylethoxymethyl)-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaen-5-yl]carbamate is COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N)c1nc-2cn1COCC[Si](C)(C)C.
What is the InChIKey of methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-16-(2-trimethylsilylethoxymethyl)-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaen-5-yl]carbamate?
The InChIKey is GTWFFWDLGQMWFK-APWZRJJASA-N. The full InChI is InChI=1S/C24H37N5O4Si/c1-16-7-6-8-19(25)22-27-21(14-29(22)15-33-11-12-34(3,4)5)18-10-9-17(26-24(31)32-2)13-20(18)28-23(16)30/h9-10,13-14,16,19H,6-8,11-12,15,25H2,1-5H3,(H,26,31)(H,28,30)/t16-,19+/m1/s1.
What are the key properties of methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-16-(2-trimethylsilylethoxymethyl)-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaen-5-yl]carbamate?
methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-16-(2-trimethylsilylethoxymethyl)-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaen-5-yl]carbamate has a molecular weight of 487.68 g/mol, XLogP of 4.80, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-16-(2-trimethylsilylethoxymethyl)-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15(18)-pentaen-5-yl]carbamate is sourced from PubChem (CID 90200568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).