N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide

C17H17N3O4 — CID 3250699

IUPACN-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H17N3O4/c1-12(21)19(2)15-9-5-14(6-10-15)18-17(22)11-13-3-7-16(8-4-13)20(23)24/h3-10H,11H2,1-2H3,(H,18,22)
InChIKeyOVMOZHQBJOHFHV-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.76
Rot. Bonds5

About N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide

N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide (PubChem CID 3250699) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide
PubChem CID3250699
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H17N3O4/c1-12(21)19(2)15-9-5-14(6-10-15)18-17(22)11-13-3-7-16(8-4-13)20(23)24/h3-10H,11H2,1-2H3,(H,18,22)
InChIKeyOVMOZHQBJOHFHV-UHFFFAOYSA-N
XLogP2.76
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.76
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

N-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide
CID 675941
2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide
CID 110674963
2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide
CID 110674996
N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 64793021
2-(4-methylsulfanylphenyl)-N-(4-nitrophenyl)acetamide
CID 18586808
2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide
CID 18587060
N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide
CID 1377182
N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide
CID 4536667
N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide
CID 3317661
2-[4-[[2-(4-nitrophenyl)acetyl]amino]phenoxy]acetate
CID 2231936
2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 14180969
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide
CID 17311686

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide (CID 3250699) is N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide is CC(=O)N(C)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is OVMOZHQBJOHFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-12(21)19(2)15-9-5-14(6-10-15)18-17(22)11-13-3-7-16(8-4-13)20(23)24/h3-10H,11H2,1-2H3,(H,18,22).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide?
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 327.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 3250699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).