1-(2-nitrophenyl)ethyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate

C17H28N2O6Si — CID 139973961

IUPAC1-(2-nitrophenyl)ethyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate
SMILESCCO[Si](C)(CCCNC(=O)OC(C)c1ccccc1[N+](=O)[O-])OCC
InChIInChI=1S/C17H28N2O6Si/c1-5-23-26(4,24-6-2)13-9-12-18-17(20)25-14(3)15-10-7-8-11-16(15)19(21)22/h7-8,10-11,14H,5-6,9,12-13H2,1-4H3,(H,18,20)
InChIKeyIYDOLOJQVSEACI-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.92
Rot. Bonds11

About 1-(2-nitrophenyl)ethyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate

1-(2-nitrophenyl)ethyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate (PubChem CID 139973961) has the molecular formula C17H28N2O6Si and a molecular weight of 384.51 g/mol. Its IUPAC name is 1-(2-nitrophenyl)ethyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate.

Molecular Properties

Compound Name1-(2-nitrophenyl)ethyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate
PubChem CID139973961
Molecular FormulaC17H28N2O6Si
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC Name1-(2-nitrophenyl)ethyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate
SMILESCCO[Si](C)(CCCNC(=O)OC(C)c1ccccc1[N+](=O)[O-])OCC
InChIInChI=1S/C17H28N2O6Si/c1-5-23-26(4,24-6-2)13-9-12-18-17(20)25-14(3)15-10-7-8-11-16(15)19(21)22/h7-8,10-11,14H,5-6,9,12-13H2,1-4H3,(H,18,20)
InChIKeyIYDOLOJQVSEACI-UHFFFAOYSA-N
XLogP3.92
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)ethyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate?
The IUPAC name of 1-(2-nitrophenyl)ethyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate (CID 139973961) is 1-(2-nitrophenyl)ethyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate.
What is the SMILES notation for 1-(2-nitrophenyl)ethyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate?
The canonical SMILES for 1-(2-nitrophenyl)ethyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate is CCO[Si](C)(CCCNC(=O)OC(C)c1ccccc1[N+](=O)[O-])OCC.
What is the InChIKey of 1-(2-nitrophenyl)ethyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate?
The InChIKey is IYDOLOJQVSEACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O6Si/c1-5-23-26(4,24-6-2)13-9-12-18-17(20)25-14(3)15-10-7-8-11-16(15)19(21)22/h7-8,10-11,14H,5-6,9,12-13H2,1-4H3,(H,18,20).
What are the key properties of 1-(2-nitrophenyl)ethyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate?
1-(2-nitrophenyl)ethyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate has a molecular weight of 384.51 g/mol, XLogP of 3.92, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)ethyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate is sourced from PubChem (CID 139973961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).