(19-ethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-amino-2-[butyl(dimethyl)silyl]acetate

C28H33N3O6Si — CID 70134864

About (19-ethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-amino-2-[butyl(dimethyl)silyl]acetate

(19-ethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-amino-2-[butyl(dimethyl)silyl]acetate (PubChem CID 70134864) has the molecular formula C28H33N3O6Si and a molecular weight of 535.67 g/mol. Its IUPAC name is (19-ethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-amino-2-[butyl(dimethyl)silyl]acetate.

Molecular Properties

• Compound Name: (19-ethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-amino-2-[butyl(dimethyl)silyl]acetate
• PubChem CID: 70134864
• Molecular Formula: C28H33N3O6Si
• Molecular Weight: 535.67 g/mol
• Exact Mass: 535.21
• IUPAC Name: (19-ethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-amino-2-[butyl(dimethyl)silyl]acetate
• SMILES: CCCC[Si](C)(C)C(N)C(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1
• InChI: InChI=1S/C28H33N3O6Si/c1-5-7-10-38(3,4)24(29)26(34)37-28(6-2)20-13-22-23-17(11-16-12-18(32)8-9-21(16)30-23)14-31(22)25(33)19(20)15-36-27(28)35/h8-9,11-13,24,32H,5-7,10,14-15,29H2,1-4H3
• InChIKey: NTNDCIIGRTWKEE-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 133.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.67
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (19-ethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-amino-2-[butyl(dimethyl)silyl]acetate?

The IUPAC name of (19-ethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-amino-2-[butyl(dimethyl)silyl]acetate (CID 70134864) is (19-ethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-amino-2-[butyl(dimethyl)silyl]acetate.

What is the SMILES notation for (19-ethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-amino-2-[butyl(dimethyl)silyl]acetate?

The canonical SMILES for (19-ethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-amino-2-[butyl(dimethyl)silyl]acetate is CCCC[Si](C)(C)C(N)C(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1.

What is the InChIKey of (19-ethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-amino-2-[butyl(dimethyl)silyl]acetate?

The InChIKey is NTNDCIIGRTWKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O6Si/c1-5-7-10-38(3,4)24(29)26(34)37-28(6-2)20-13-22-23-17(11-16-12-18(32)8-9-21(16)30-23)14-31(22)25(33)19(20)15-36-27(28)35/h8-9,11-13,24,32H,5-7,10,14-15,29H2,1-4H3.

What are the key properties of (19-ethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-amino-2-[butyl(dimethyl)silyl]acetate?

(19-ethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-amino-2-[butyl(dimethyl)silyl]acetate has a molecular weight of 535.67 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (19-ethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl) 2-amino-2-[butyl(dimethyl)silyl]acetate is sourced from PubChem (CID 70134864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).