2-(3-methyl-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide

C19H22N2O4 — CID 24500733

IUPAC2-(3-methyl-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccccc2C(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H22N2O4/c1-12(2)16-7-5-6-8-17(16)20-19(22)14(4)25-15-9-10-18(21(23)24)13(3)11-15/h5-12,14H,1-4H3,(H,20,22)
InChIKeyVCJVMVMRLIOQHR-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.43
Rot. Bonds6

About 2-(3-methyl-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide

2-(3-methyl-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 24500733) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(3-methyl-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-methyl-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID24500733
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-(3-methyl-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccccc2C(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H22N2O4/c1-12(2)16-7-5-6-8-17(16)20-19(22)14(4)25-15-9-10-18(21(23)24)13(3)11-15/h5-12,14H,1-4H3,(H,20,22)
InChIKeyVCJVMVMRLIOQHR-UHFFFAOYSA-N
XLogP4.43
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.43
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

(2R)-N-(2-chlorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384201
(2S)-N-[2-(difluoromethoxy)phenyl]-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384278
2-(3,4-dimethylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 53266174
2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide
CID 2939832
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 841227
(2S)-N-(4-chloro-2-fluorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384236
(2S)-N-(3-fluorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384222
(2S)-N-(2-methyl-3-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 93488024
methyl 3-nitro-4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]oxybenzoate
CID 9003304
2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide
CID 53267271
(2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide
CID 7212772
2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide
CID 2953745

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-(3-methyl-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide (CID 24500733) is 2-(3-methyl-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-(3-methyl-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-(3-methyl-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide is Cc1cc(OC(C)C(=O)Nc2ccccc2C(C)C)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methyl-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is VCJVMVMRLIOQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12(2)16-7-5-6-8-17(16)20-19(22)14(4)25-15-9-10-18(21(23)24)13(3)11-15/h5-12,14H,1-4H3,(H,20,22).
What are the key properties of 2-(3-methyl-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide?
2-(3-methyl-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 342.40 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 24500733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).