2-(2-tert-butylphenoxy)-N-(2-nitrophenyl)propanamide

C19H22N2O4 — CID 53266594

IUPAC2-(2-tert-butylphenoxy)-N-(2-nitrophenyl)propanamide
SMILESCC(Oc1ccccc1C(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H22N2O4/c1-13(25-17-12-8-5-9-14(17)19(2,3)4)18(22)20-15-10-6-7-11-16(15)21(23)24/h5-13H,1-4H3,(H,20,22)
InChIKeyQFTJJUAFEJJGHS-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.30
Rot. Bonds5

About 2-(2-tert-butylphenoxy)-N-(2-nitrophenyl)propanamide

2-(2-tert-butylphenoxy)-N-(2-nitrophenyl)propanamide (PubChem CID 53266594) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-(2-nitrophenyl)propanamide
PubChem CID53266594
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-(2-tert-butylphenoxy)-N-(2-nitrophenyl)propanamide
SMILESCC(Oc1ccccc1C(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H22N2O4/c1-13(25-17-12-8-5-9-14(17)19(2,3)4)18(22)20-15-10-6-7-11-16(15)21(23)24/h5-13H,1-4H3,(H,20,22)
InChIKeyQFTJJUAFEJJGHS-UHFFFAOYSA-N
XLogP4.30
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.30
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'}

Analyze 2-(2-tert-butylphenoxy)-N-(2-nitrophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide
CID 53266753
(2S)-2-naphthalen-1-yloxy-N-(2-nitrophenyl)propanamide
CID 7851042
N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943656
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 9205343
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide
CID 2953745
(2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide
CID 7212772
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide
CID 9205694
N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 42579619
2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 4943784
(2S)-N-(2-methyl-3-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 93488024
N,N-dimethyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 9205670

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-(2-nitrophenyl)propanamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-(2-nitrophenyl)propanamide (CID 53266594) is 2-(2-tert-butylphenoxy)-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-(2-nitrophenyl)propanamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-(2-nitrophenyl)propanamide is CC(Oc1ccccc1C(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-(2-nitrophenyl)propanamide?
The InChIKey is QFTJJUAFEJJGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(25-17-12-8-5-9-14(17)19(2,3)4)18(22)20-15-10-6-7-11-16(15)21(23)24/h5-13H,1-4H3,(H,20,22).
What are the key properties of 2-(2-tert-butylphenoxy)-N-(2-nitrophenyl)propanamide?
2-(2-tert-butylphenoxy)-N-(2-nitrophenyl)propanamide has a molecular weight of 342.40 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 53266594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).