N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(4-methyl-2-nitrophenyl)oxamide

C19H21N3O5 — CID 90598990

IUPACN-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(4-methyl-2-nitrophenyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1C
InChIInChI=1S/C19H21N3O5/c1-12-8-9-15(16(10-12)22(25)26)21-19(24)18(23)20-11-17(27-3)14-7-5-4-6-13(14)2/h4-10,17H,11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyAKHZLFLMHZQRQR-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.65
Rot. Bonds6

About N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(4-methyl-2-nitrophenyl)oxamide

N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(4-methyl-2-nitrophenyl)oxamide (PubChem CID 90598990) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(4-methyl-2-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(4-methyl-2-nitrophenyl)oxamide
PubChem CID90598990
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(4-methyl-2-nitrophenyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1C
InChIInChI=1S/C19H21N3O5/c1-12-8-9-15(16(10-12)22(25)26)21-19(24)18(23)20-11-17(27-3)14-7-5-4-6-13(14)2/h4-10,17H,11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyAKHZLFLMHZQRQR-UHFFFAOYSA-N
XLogP2.65
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide
CID 90598230
N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 90598970
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 90623953
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide
CID 90598746
N-(2-methoxy-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide
CID 90584146
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N'-(4-methyl-2-nitrophenyl)oxamide
CID 90491001
N'-(3,4-dimethoxyphenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide
CID 90598995
N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 97417837
N'-(2,3-dimethylphenyl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide
CID 90598203
N'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623158
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 90598696
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(2,3-dimethylphenyl)oxamide
CID 90623949

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(4-methyl-2-nitrophenyl)oxamide?
The IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(4-methyl-2-nitrophenyl)oxamide (CID 90598990) is N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(4-methyl-2-nitrophenyl)oxamide.
What is the SMILES notation for N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(4-methyl-2-nitrophenyl)oxamide?
The canonical SMILES for N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(4-methyl-2-nitrophenyl)oxamide is COC(CNC(=O)C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1C.
What is the InChIKey of N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(4-methyl-2-nitrophenyl)oxamide?
The InChIKey is AKHZLFLMHZQRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-12-8-9-15(16(10-12)22(25)26)21-19(24)18(23)20-11-17(27-3)14-7-5-4-6-13(14)2/h4-10,17H,11H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(4-methyl-2-nitrophenyl)oxamide?
N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(4-methyl-2-nitrophenyl)oxamide has a molecular weight of 371.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(4-methyl-2-nitrophenyl)oxamide is sourced from PubChem (CID 90598990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).