N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide

C18H19N3O6 — CID 90598230

IUPACN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide
SMILESCOc1ccccc1C(CNC(=O)C(=O)Nc1ccccc1[N+](=O)[O-])OC
InChIInChI=1S/C18H19N3O6/c1-26-15-10-6-3-7-12(15)16(27-2)11-19-17(22)18(23)20-13-8-4-5-9-14(13)21(24)25/h3-10,16H,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyUSTUQQZSBWFRQM-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.05
Rot. Bonds7

About N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide

N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide (PubChem CID 90598230) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide
PubChem CID90598230
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC NameN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide
SMILESCOc1ccccc1C(CNC(=O)C(=O)Nc1ccccc1[N+](=O)[O-])OC
InChIInChI=1S/C18H19N3O6/c1-26-15-10-6-3-7-12(15)16(27-2)11-19-17(22)18(23)20-13-8-4-5-9-14(13)21(24)25/h3-10,16H,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyUSTUQQZSBWFRQM-UHFFFAOYSA-N
XLogP2.05
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide
CID 90584146
N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(4-methyl-2-nitrophenyl)oxamide
CID 90598990
N'-(3,4-dimethoxyphenyl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide
CID 90598246
N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(2-nitrophenyl)oxamide
CID 41454643
N'-(2-methoxy-5-methylphenyl)-N-(2-nitrophenyl)oxamide
CID 45000518
2-(2-methoxyphenyl)-N-(2-nitrophenyl)acetamide
CID 3253389
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(2-cyanophenyl)oxamide
CID 90623942
N-[2-(4-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide
CID 7585365
(E)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 90598018
1-(2-methoxyphenyl)-N,N-dimethyl-N'-(2-nitrophenyl)ethane-1,2-diamine
CID 42909444
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide
CID 90623723
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 90623793

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide?
The IUPAC name of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide (CID 90598230) is N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide.
What is the SMILES notation for N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide?
The canonical SMILES for N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide is COc1ccccc1C(CNC(=O)C(=O)Nc1ccccc1[N+](=O)[O-])OC.
What is the InChIKey of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide?
The InChIKey is USTUQQZSBWFRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-26-15-10-6-3-7-12(15)16(27-2)11-19-17(22)18(23)20-13-8-4-5-9-14(13)21(24)25/h3-10,16H,11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide?
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide has a molecular weight of 373.37 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide is sourced from PubChem (CID 90598230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).