N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide

C12H16N2O4 — CID 112604437

IUPACN-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide
SMILESCc1ccc(NC(=O)COC(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C12H16N2O4/c1-8(2)18-7-12(15)13-10-5-4-9(3)6-11(10)14(16)17/h4-6,8H,7H2,1-3H3,(H,13,15)
InChIKeyQIJOPTARXQAFAN-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.27
Rot. Bonds5

About N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide

N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide (PubChem CID 112604437) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide
PubChem CID112604437
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide
SMILESCc1ccc(NC(=O)COC(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C12H16N2O4/c1-8(2)18-7-12(15)13-10-5-4-9(3)6-11(10)14(16)17/h4-6,8H,7H2,1-3H3,(H,13,15)
InChIKeyQIJOPTARXQAFAN-UHFFFAOYSA-N
XLogP2.27
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346
N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
CID 4123173
2-(methylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 43218210
2-(4-bromo-2-propan-2-ylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19202524
[2-(4-methyl-2-nitroanilino)-2-oxoethyl] 4-tert-butylbenzoate
CID 7500942
[2-(4-methyl-2-nitroanilino)-2-oxoethyl] (2S)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoate
CID 55927377
2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19173234
[2-(4-methyl-2-nitroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 35588003
N-(2-methoxy-5-methylphenyl)-2-propan-2-yloxyacetamide
CID 47410584
ethyl N-(4-methyl-2-nitrophenyl)carbamate;4-methyl-2-nitroaniline
CID 87985494
4-methyl-2-nitro-N-(3-propan-2-yloxypropyl)aniline
CID 133382011
2-(benzhydrylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 7778820

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide (CID 112604437) is N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide is Cc1ccc(NC(=O)COC(C)C)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide?
The InChIKey is QIJOPTARXQAFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8(2)18-7-12(15)13-10-5-4-9(3)6-11(10)14(16)17/h4-6,8H,7H2,1-3H3,(H,13,15).
What are the key properties of N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide?
N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide has a molecular weight of 252.27 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112604437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).