N-(4,5-dimethyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide

C19H23N3O4 — CID 8797888

IUPACN-(4,5-dimethyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
SMILESCc1cc(NC(=O)CN(C)CCOc2ccccc2)c([N+](=O)[O-])cc1C
InChIInChI=1S/C19H23N3O4/c1-14-11-17(18(22(24)25)12-15(14)2)20-19(23)13-21(3)9-10-26-16-7-5-4-6-8-16/h4-8,11-12H,9-10,13H2,1-3H3,(H,20,23)
InChIKeyCSTLPIYTZYHWII-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.16
Rot. Bonds8

About N-(4,5-dimethyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide

N-(4,5-dimethyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide (PubChem CID 8797888) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(4,5-dimethyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
PubChem CID8797888
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-(4,5-dimethyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
SMILESCc1cc(NC(=O)CN(C)CCOc2ccccc2)c([N+](=O)[O-])cc1C
InChIInChI=1S/C19H23N3O4/c1-14-11-17(18(22(24)25)12-15(14)2)20-19(23)13-21(3)9-10-26-16-7-5-4-6-8-16/h4-8,11-12H,9-10,13H2,1-3H3,(H,20,23)
InChIKeyCSTLPIYTZYHWII-UHFFFAOYSA-N
XLogP3.16
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(5-methoxy-2-methyl-4-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 4879284
N-(2-methyl-3-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 27203177
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 27203066
N-(4-chlorophenyl)-2-[[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167207
2-[methyl(2-phenoxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 8797607
N-(2-methoxy-4-nitrophenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 26424871
N-(4-bromo-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 2438529
N-(2-chloro-4-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8797671
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 39975511
2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 26429979
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide
CID 7818239
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide
CID 8514684

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
The IUPAC name of N-(4,5-dimethyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide (CID 8797888) is N-(4,5-dimethyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide.
What is the SMILES notation for N-(4,5-dimethyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
The canonical SMILES for N-(4,5-dimethyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide is Cc1cc(NC(=O)CN(C)CCOc2ccccc2)c([N+](=O)[O-])cc1C.
What is the InChIKey of N-(4,5-dimethyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
The InChIKey is CSTLPIYTZYHWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-14-11-17(18(22(24)25)12-15(14)2)20-19(23)13-21(3)9-10-26-16-7-5-4-6-8-16/h4-8,11-12H,9-10,13H2,1-3H3,(H,20,23).
What are the key properties of N-(4,5-dimethyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
N-(4,5-dimethyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide has a molecular weight of 357.41 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide is sourced from PubChem (CID 8797888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).