N-(4-methyl-2-nitrophenyl)-4-(2-methylphenoxy)butanamide

C18H20N2O4 — CID 19173344

IUPACN-(4-methyl-2-nitrophenyl)-4-(2-methylphenoxy)butanamide
SMILESCc1ccc(NC(=O)CCCOc2ccccc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C18H20N2O4/c1-13-9-10-15(16(12-13)20(22)23)19-18(21)8-5-11-24-17-7-4-3-6-14(17)2/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,19,21)
InChIKeyKWLLSYHSRNKHDQ-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.01
Rot. Bonds7

About N-(4-methyl-2-nitrophenyl)-4-(2-methylphenoxy)butanamide

N-(4-methyl-2-nitrophenyl)-4-(2-methylphenoxy)butanamide (PubChem CID 19173344) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(4-methyl-2-nitrophenyl)-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-methyl-2-nitrophenyl)-4-(2-methylphenoxy)butanamide
PubChem CID19173344
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-(4-methyl-2-nitrophenyl)-4-(2-methylphenoxy)butanamide
SMILESCc1ccc(NC(=O)CCCOc2ccccc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C18H20N2O4/c1-13-9-10-15(16(12-13)20(22)23)19-18(21)8-5-11-24-17-7-4-3-6-14(17)2/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,19,21)
InChIKeyKWLLSYHSRNKHDQ-UHFFFAOYSA-N
XLogP4.01
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
CID 4123173
N-(2-methylphenyl)-4-(2-nitrophenoxy)butanamide
CID 84549591
N-(2,3-dimethylphenyl)-4-(2-nitrophenoxy)butanamide
CID 84550981
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
7-amino-N-(4-methyl-2-nitrophenyl)heptanamide
CID 43708379
N-(2,4-dimethoxyphenyl)-4-(2-nitrophenoxy)butanamide
CID 84549588
2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 26416386
N-(2-methyl-3-nitrophenyl)-4-(2-nitrophenoxy)butanamide
CID 84549848
4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19190896
2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19173234
N-(5-amino-2-methylphenyl)-4-(2-methylphenoxy)butanamide
CID 16793907
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-nitrophenyl)-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-(4-methyl-2-nitrophenyl)-4-(2-methylphenoxy)butanamide (CID 19173344) is N-(4-methyl-2-nitrophenyl)-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-(4-methyl-2-nitrophenyl)-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-(4-methyl-2-nitrophenyl)-4-(2-methylphenoxy)butanamide is Cc1ccc(NC(=O)CCCOc2ccccc2C)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methyl-2-nitrophenyl)-4-(2-methylphenoxy)butanamide?
The InChIKey is KWLLSYHSRNKHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13-9-10-15(16(12-13)20(22)23)19-18(21)8-5-11-24-17-7-4-3-6-14(17)2/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,19,21).
What are the key properties of N-(4-methyl-2-nitrophenyl)-4-(2-methylphenoxy)butanamide?
N-(4-methyl-2-nitrophenyl)-4-(2-methylphenoxy)butanamide has a molecular weight of 328.37 g/mol, XLogP of 4.01, 7 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)-4-(2-methylphenoxy)butanamide is sourced from PubChem (CID 19173344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).