N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide

C17H18N2O4 — CID 1406594

IUPACN-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2C)c(C)c1
InChIInChI=1S/C17H18N2O4/c1-11-4-6-15(12(2)8-11)18-17(20)10-23-16-7-5-14(19(21)22)9-13(16)3/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyRNVDMKZCAZGODQ-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.54
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide

N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide (PubChem CID 1406594) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
PubChem CID1406594
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2C)c(C)c1
InChIInChI=1S/C17H18N2O4/c1-11-4-6-15(12(2)8-11)18-17(20)10-23-16-7-5-14(19(21)22)9-13(16)3/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyRNVDMKZCAZGODQ-UHFFFAOYSA-N
XLogP3.54
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.54
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-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3477288
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19202538
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406721
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 720864
N-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide
CID 55733652
2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3389799
N-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406582
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 17342420
N-(2-hydroxy-5-nitrophenyl)-2-(2,4,5-trimethylphenoxy)acetamide
CID 17342422
methyl 4-[[2-(2-methyl-4-nitrophenoxy)acetyl]amino]benzoate
CID 1406620

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide (CID 1406594) is N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide is Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide?
The InChIKey is RNVDMKZCAZGODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-4-6-15(12(2)8-11)18-17(20)10-23-16-7-5-14(19(21)22)9-13(16)3/h4-9H,10H2,1-3H3,(H,18,20).
What are the key properties of N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide?
N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide has a molecular weight of 314.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide is sourced from PubChem (CID 1406594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).