1-(2-nitrophenyl)ethyl N-[3-[ethoxy(dimethyl)silyl]propyl]carbamate

C16H26N2O5Si — CID 139973962

IUPAC1-(2-nitrophenyl)ethyl N-[3-[ethoxy(dimethyl)silyl]propyl]carbamate
SMILESCCO[Si](C)(C)CCCNC(=O)OC(C)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H26N2O5Si/c1-5-22-24(3,4)12-8-11-17-16(19)23-13(2)14-9-6-7-10-15(14)18(20)21/h6-7,9-10,13H,5,8,11-12H2,1-4H3,(H,17,19)
InChIKeyXPHCUWDCZCSOMC-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.01
Rot. Bonds9

About 1-(2-nitrophenyl)ethyl N-[3-[ethoxy(dimethyl)silyl]propyl]carbamate

1-(2-nitrophenyl)ethyl N-[3-[ethoxy(dimethyl)silyl]propyl]carbamate (PubChem CID 139973962) has the molecular formula C16H26N2O5Si and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-(2-nitrophenyl)ethyl N-[3-[ethoxy(dimethyl)silyl]propyl]carbamate.

Molecular Properties

Compound Name1-(2-nitrophenyl)ethyl N-[3-[ethoxy(dimethyl)silyl]propyl]carbamate
PubChem CID139973962
Molecular FormulaC16H26N2O5Si
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC Name1-(2-nitrophenyl)ethyl N-[3-[ethoxy(dimethyl)silyl]propyl]carbamate
SMILESCCO[Si](C)(C)CCCNC(=O)OC(C)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H26N2O5Si/c1-5-22-24(3,4)12-8-11-17-16(19)23-13(2)14-9-6-7-10-15(14)18(20)21/h6-7,9-10,13H,5,8,11-12H2,1-4H3,(H,17,19)
InChIKeyXPHCUWDCZCSOMC-UHFFFAOYSA-N
XLogP4.01
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
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': '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-[ethoxy(dimethyl)silyl]propyl]carbamate?
The IUPAC name of 1-(2-nitrophenyl)ethyl N-[3-[ethoxy(dimethyl)silyl]propyl]carbamate (CID 139973962) is 1-(2-nitrophenyl)ethyl N-[3-[ethoxy(dimethyl)silyl]propyl]carbamate.
What is the SMILES notation for 1-(2-nitrophenyl)ethyl N-[3-[ethoxy(dimethyl)silyl]propyl]carbamate?
The canonical SMILES for 1-(2-nitrophenyl)ethyl N-[3-[ethoxy(dimethyl)silyl]propyl]carbamate is CCO[Si](C)(C)CCCNC(=O)OC(C)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-nitrophenyl)ethyl N-[3-[ethoxy(dimethyl)silyl]propyl]carbamate?
The InChIKey is XPHCUWDCZCSOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5Si/c1-5-22-24(3,4)12-8-11-17-16(19)23-13(2)14-9-6-7-10-15(14)18(20)21/h6-7,9-10,13H,5,8,11-12H2,1-4H3,(H,17,19).
What are the key properties of 1-(2-nitrophenyl)ethyl N-[3-[ethoxy(dimethyl)silyl]propyl]carbamate?
1-(2-nitrophenyl)ethyl N-[3-[ethoxy(dimethyl)silyl]propyl]carbamate has a molecular weight of 354.48 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)ethyl N-[3-[ethoxy(dimethyl)silyl]propyl]carbamate is sourced from PubChem (CID 139973962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).