N-(4-nitrophenyl)-N-trimethylsilylacetamide

C11H16N2O3Si — CID 172736262

IUPACN-(4-nitrophenyl)-N-trimethylsilylacetamide
SMILESCC(=O)N(c1ccc([N+](=O)[O-])cc1)[Si](C)(C)C
InChIInChI=1S/C11H16N2O3Si/c1-9(14)12(17(2,3)4)10-5-7-11(8-6-10)13(15)16/h5-8H,1-4H3
InChIKeyIMEDWSVWBDZCKL-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.78
Rot. Bonds3

About N-(4-nitrophenyl)-N-trimethylsilylacetamide

N-(4-nitrophenyl)-N-trimethylsilylacetamide (PubChem CID 172736262) has the molecular formula C11H16N2O3Si and a molecular weight of 252.35 g/mol. Its IUPAC name is N-(4-nitrophenyl)-N-trimethylsilylacetamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-N-trimethylsilylacetamide
PubChem CID172736262
Molecular FormulaC11H16N2O3Si
Molecular Weight252.35 g/mol
Exact Mass252.09
IUPAC NameN-(4-nitrophenyl)-N-trimethylsilylacetamide
SMILESCC(=O)N(c1ccc([N+](=O)[O-])cc1)[Si](C)(C)C
InChIInChI=1S/C11H16N2O3Si/c1-9(14)12(17(2,3)4)10-5-7-11(8-6-10)13(15)16/h5-8H,1-4H3
InChIKeyIMEDWSVWBDZCKL-UHFFFAOYSA-N
XLogP2.78
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

N-(4-nitrophenyl)-N-(trifluoromethyl)acetamide
CID 56945017
bis(4-nitrophenyl)carbamic acid
CID 20515803
N-(1-methoxyethyl)-N-(4-nitrophenyl)acetamide
CID 121221118
4-nitrophenol;propan-2-one
CID 18924338
N,N-bis[(4-nitrophenoxy)methyl]acetamide
CID 4167536
ethane;1-(4-nitrophenyl)ethanone
CID 172597016
N-(4-nitrophenyl)-N-(propan-2-ylideneamino)nitramide
CID 88847387
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide
CID 3250699
4-nitro-N-trimethylsilylbenzamide
CID 12726300
2-[N-(carboxymethyl)-4-nitroanilino]acetic acid
CID 21205647
N-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide
CID 675941
2-(N-methyl-4-nitroanilino)ethyl acetate
CID 91724161

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-N-trimethylsilylacetamide?
The IUPAC name of N-(4-nitrophenyl)-N-trimethylsilylacetamide (CID 172736262) is N-(4-nitrophenyl)-N-trimethylsilylacetamide.
What is the SMILES notation for N-(4-nitrophenyl)-N-trimethylsilylacetamide?
The canonical SMILES for N-(4-nitrophenyl)-N-trimethylsilylacetamide is CC(=O)N(c1ccc([N+](=O)[O-])cc1)[Si](C)(C)C.
What is the InChIKey of N-(4-nitrophenyl)-N-trimethylsilylacetamide?
The InChIKey is IMEDWSVWBDZCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3Si/c1-9(14)12(17(2,3)4)10-5-7-11(8-6-10)13(15)16/h5-8H,1-4H3.
What are the key properties of N-(4-nitrophenyl)-N-trimethylsilylacetamide?
N-(4-nitrophenyl)-N-trimethylsilylacetamide has a molecular weight of 252.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-N-trimethylsilylacetamide is sourced from PubChem (CID 172736262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).