2-(3,5-dimethylphenoxy)-N-(4-methyl-3-nitrophenyl)propanamide

C18H20N2O4 — CID 53266244

IUPAC2-(3,5-dimethylphenoxy)-N-(4-methyl-3-nitrophenyl)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C18H20N2O4/c1-11-7-12(2)9-16(8-11)24-14(4)18(21)19-15-6-5-13(3)17(10-15)20(22)23/h5-10,14H,1-4H3,(H,19,21)
InChIKeyBPZDWBHHGXNUSW-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.93
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-N-(4-methyl-3-nitrophenyl)propanamide

2-(3,5-dimethylphenoxy)-N-(4-methyl-3-nitrophenyl)propanamide (PubChem CID 53266244) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(4-methyl-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(4-methyl-3-nitrophenyl)propanamide
PubChem CID53266244
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-(3,5-dimethylphenoxy)-N-(4-methyl-3-nitrophenyl)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C18H20N2O4/c1-11-7-12(2)9-16(8-11)24-14(4)18(21)19-15-6-5-13(3)17(10-15)20(22)23/h5-10,14H,1-4H3,(H,19,21)
InChIKeyBPZDWBHHGXNUSW-UHFFFAOYSA-N
XLogP3.93
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.93
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-(3,5-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 3381118
N-(4-methyl-3-nitrophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide
CID 53266665
2,3-dimethyl-4-(4-methyl-3-nitroanilino)-4-oxobutanoic acid
CID 103496212
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384234
(2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide
CID 9173132
(2R)-N-(3-acetamidophenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 29464050
(2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide
CID 9205295
3-amino-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide
CID 62669230
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 24511211
N-(4-methyl-3-nitrophenyl)-2-propan-2-ylsulfonylpropanamide
CID 60553956
(2S)-N-(3-fluorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384222
N-(4-chloro-3-nitrophenyl)-2-(3-chlorophenoxy)propanamide
CID 5206007

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(4-methyl-3-nitrophenyl)propanamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(4-methyl-3-nitrophenyl)propanamide (CID 53266244) is 2-(3,5-dimethylphenoxy)-N-(4-methyl-3-nitrophenyl)propanamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(4-methyl-3-nitrophenyl)propanamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(4-methyl-3-nitrophenyl)propanamide is Cc1cc(C)cc(OC(C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(4-methyl-3-nitrophenyl)propanamide?
The InChIKey is BPZDWBHHGXNUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-7-12(2)9-16(8-11)24-14(4)18(21)19-15-6-5-13(3)17(10-15)20(22)23/h5-10,14H,1-4H3,(H,19,21).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(4-methyl-3-nitrophenyl)propanamide?
2-(3,5-dimethylphenoxy)-N-(4-methyl-3-nitrophenyl)propanamide has a molecular weight of 328.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(4-methyl-3-nitrophenyl)propanamide is sourced from PubChem (CID 53266244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).