1-(2-nitrophenyl)ethyl N-(3-trimethoxysilylpropyl)carbamate

C15H24N2O7Si — CID 139973966

IUPAC1-(2-nitrophenyl)ethyl N-(3-trimethoxysilylpropyl)carbamate
SMILESCO[Si](CCCNC(=O)OC(C)c1ccccc1[N+](=O)[O-])(OC)OC
InChIInChI=1S/C15H24N2O7Si/c1-12(13-8-5-6-9-14(13)17(19)20)24-15(18)16-10-7-11-25(21-2,22-3)23-4/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,16,18)
InChIKeyHMOVHSMVUHNAIC-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.65
Rot. Bonds10

About 1-(2-nitrophenyl)ethyl N-(3-trimethoxysilylpropyl)carbamate

1-(2-nitrophenyl)ethyl N-(3-trimethoxysilylpropyl)carbamate (PubChem CID 139973966) has the molecular formula C15H24N2O7Si and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-(2-nitrophenyl)ethyl N-(3-trimethoxysilylpropyl)carbamate.

Molecular Properties

Compound Name1-(2-nitrophenyl)ethyl N-(3-trimethoxysilylpropyl)carbamate
PubChem CID139973966
Molecular FormulaC15H24N2O7Si
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC Name1-(2-nitrophenyl)ethyl N-(3-trimethoxysilylpropyl)carbamate
SMILESCO[Si](CCCNC(=O)OC(C)c1ccccc1[N+](=O)[O-])(OC)OC
InChIInChI=1S/C15H24N2O7Si/c1-12(13-8-5-6-9-14(13)17(19)20)24-15(18)16-10-7-11-25(21-2,22-3)23-4/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,16,18)
InChIKeyHMOVHSMVUHNAIC-UHFFFAOYSA-N
XLogP2.65
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-trimethoxysilylpropyl)carbamate?
The IUPAC name of 1-(2-nitrophenyl)ethyl N-(3-trimethoxysilylpropyl)carbamate (CID 139973966) is 1-(2-nitrophenyl)ethyl N-(3-trimethoxysilylpropyl)carbamate.
What is the SMILES notation for 1-(2-nitrophenyl)ethyl N-(3-trimethoxysilylpropyl)carbamate?
The canonical SMILES for 1-(2-nitrophenyl)ethyl N-(3-trimethoxysilylpropyl)carbamate is CO[Si](CCCNC(=O)OC(C)c1ccccc1[N+](=O)[O-])(OC)OC.
What is the InChIKey of 1-(2-nitrophenyl)ethyl N-(3-trimethoxysilylpropyl)carbamate?
The InChIKey is HMOVHSMVUHNAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O7Si/c1-12(13-8-5-6-9-14(13)17(19)20)24-15(18)16-10-7-11-25(21-2,22-3)23-4/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,16,18).
What are the key properties of 1-(2-nitrophenyl)ethyl N-(3-trimethoxysilylpropyl)carbamate?
1-(2-nitrophenyl)ethyl N-(3-trimethoxysilylpropyl)carbamate has a molecular weight of 372.45 g/mol, XLogP of 2.65, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)ethyl N-(3-trimethoxysilylpropyl)carbamate is sourced from PubChem (CID 139973966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).