N-(3,5-ditert-butyl-4-nitrophenyl)acetamide

C16H24N2O3 — CID 56696333

IUPACN-(3,5-ditert-butyl-4-nitrophenyl)acetamide
SMILESCC(=O)Nc1cc(C(C)(C)C)c([N+](=O)[O-])c(C(C)(C)C)c1
InChIInChI=1S/C16H24N2O3/c1-10(19)17-11-8-12(15(2,3)4)14(18(20)21)13(9-11)16(5,6)7/h8-9H,1-7H3,(H,17,19)
InChIKeyIUNWJXFXLRIYIH-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.15
Rot. Bonds2

About N-(3,5-ditert-butyl-4-nitrophenyl)acetamide

N-(3,5-ditert-butyl-4-nitrophenyl)acetamide (PubChem CID 56696333) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(3,5-ditert-butyl-4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(3,5-ditert-butyl-4-nitrophenyl)acetamide
PubChem CID56696333
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(3,5-ditert-butyl-4-nitrophenyl)acetamide
SMILESCC(=O)Nc1cc(C(C)(C)C)c([N+](=O)[O-])c(C(C)(C)C)c1
InChIInChI=1S/C16H24N2O3/c1-10(19)17-11-8-12(15(2,3)4)14(18(20)21)13(9-11)16(5,6)7/h8-9H,1-7H3,(H,17,19)
InChIKeyIUNWJXFXLRIYIH-UHFFFAOYSA-N
XLogP4.15
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-diacetamidophenyl)acetamide
CID 12731559
[2-bromo-4-tert-butyl-6-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)-3-nitrophenyl] methyl carbonate
CID 158877567
2,7-ditert-butyl-1,8-dinitropyrene
CID 10363854
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N-(3-acetamido-5-fluoro-2,4,6-trinitrophenyl)acetamide
CID 12577939
3-acetamido-5-tert-butylbenzoic acid
CID 59551438
2-(4-acetamido-2,6-dinitroanilino)ethyl methanesulfonate
CID 71415067
N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-nitrophenyl]acetamide
CID 139075343
N-[3-(2-hydroxyethyl)-5-nitrophenyl]acetamide
CID 91552983
N-(3,4,6-trichloro-2-nitrophenyl)acetamide
CID 4582781
2,6-ditert-butyl-3,4-dinitrophenol
CID 175534282
N-(3-acetamido-6-methyl-2,4-dinitrophenyl)acetamide
CID 102249243

Frequently Asked Questions

What is the IUPAC name of N-(3,5-ditert-butyl-4-nitrophenyl)acetamide?
The IUPAC name of N-(3,5-ditert-butyl-4-nitrophenyl)acetamide (CID 56696333) is N-(3,5-ditert-butyl-4-nitrophenyl)acetamide.
What is the SMILES notation for N-(3,5-ditert-butyl-4-nitrophenyl)acetamide?
The canonical SMILES for N-(3,5-ditert-butyl-4-nitrophenyl)acetamide is CC(=O)Nc1cc(C(C)(C)C)c([N+](=O)[O-])c(C(C)(C)C)c1.
What is the InChIKey of N-(3,5-ditert-butyl-4-nitrophenyl)acetamide?
The InChIKey is IUNWJXFXLRIYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10(19)17-11-8-12(15(2,3)4)14(18(20)21)13(9-11)16(5,6)7/h8-9H,1-7H3,(H,17,19).
What are the key properties of N-(3,5-ditert-butyl-4-nitrophenyl)acetamide?
N-(3,5-ditert-butyl-4-nitrophenyl)acetamide has a molecular weight of 292.38 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-ditert-butyl-4-nitrophenyl)acetamide is sourced from PubChem (CID 56696333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).