N'-ethyl-N-(2-methoxy-5-nitrophenyl)-N'-(3-methylphenyl)oxamide

C18H19N3O5 — CID 108532435

IUPACN'-ethyl-N-(2-methoxy-5-nitrophenyl)-N'-(3-methylphenyl)oxamide
SMILESCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1cccc(C)c1
InChIInChI=1S/C18H19N3O5/c1-4-20(13-7-5-6-12(2)10-13)18(23)17(22)19-15-11-14(21(24)25)8-9-16(15)26-3/h5-11H,4H2,1-3H3,(H,19,22)
InChIKeyOIIJTQCCKQKHEG-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.90
Rot. Bonds5

About N'-ethyl-N-(2-methoxy-5-nitrophenyl)-N'-(3-methylphenyl)oxamide

N'-ethyl-N-(2-methoxy-5-nitrophenyl)-N'-(3-methylphenyl)oxamide (PubChem CID 108532435) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N'-ethyl-N-(2-methoxy-5-nitrophenyl)-N'-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-ethyl-N-(2-methoxy-5-nitrophenyl)-N'-(3-methylphenyl)oxamide
PubChem CID108532435
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN'-ethyl-N-(2-methoxy-5-nitrophenyl)-N'-(3-methylphenyl)oxamide
SMILESCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1cccc(C)c1
InChIInChI=1S/C18H19N3O5/c1-4-20(13-7-5-6-12(2)10-13)18(23)17(22)19-15-11-14(21(24)25)8-9-16(15)26-3/h5-11H,4H2,1-3H3,(H,19,22)
InChIKeyOIIJTQCCKQKHEG-UHFFFAOYSA-N
XLogP2.90
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
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'-ethyl-N'-(3-methylphenyl)-N-(3-nitrophenyl)oxamide
CID 108513389
N'-butyl-N-(2-methoxy-5-nitrophenyl)-N'-methyloxamide
CID 108528561
N-[4-(diethylamino)phenyl]-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108530617
N-(2-amino-5-methylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108532452
3-acetamido-N-ethyl-4-methoxy-N-(3-methylphenyl)benzamide
CID 110764336
N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108969573
3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea
CID 3430269
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-nitrophenyl)butanamide
CID 132670512
N-ethyl-2-(2-methoxy-5-methylanilino)-N-(3-methylphenyl)acetamide
CID 109009248
1-ethyl-3-(2-methoxy-5-nitrophenyl)urea
CID 75412823
2,2,2-trifluoroethyl N-(2-methoxy-5-nitrophenyl)carbamate
CID 39871460
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853551

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(2-methoxy-5-nitrophenyl)-N'-(3-methylphenyl)oxamide?
The IUPAC name of N'-ethyl-N-(2-methoxy-5-nitrophenyl)-N'-(3-methylphenyl)oxamide (CID 108532435) is N'-ethyl-N-(2-methoxy-5-nitrophenyl)-N'-(3-methylphenyl)oxamide.
What is the SMILES notation for N'-ethyl-N-(2-methoxy-5-nitrophenyl)-N'-(3-methylphenyl)oxamide?
The canonical SMILES for N'-ethyl-N-(2-methoxy-5-nitrophenyl)-N'-(3-methylphenyl)oxamide is CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1cccc(C)c1.
What is the InChIKey of N'-ethyl-N-(2-methoxy-5-nitrophenyl)-N'-(3-methylphenyl)oxamide?
The InChIKey is OIIJTQCCKQKHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-4-20(13-7-5-6-12(2)10-13)18(23)17(22)19-15-11-14(21(24)25)8-9-16(15)26-3/h5-11H,4H2,1-3H3,(H,19,22).
What are the key properties of N'-ethyl-N-(2-methoxy-5-nitrophenyl)-N'-(3-methylphenyl)oxamide?
N'-ethyl-N-(2-methoxy-5-nitrophenyl)-N'-(3-methylphenyl)oxamide has a molecular weight of 357.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(2-methoxy-5-nitrophenyl)-N'-(3-methylphenyl)oxamide is sourced from PubChem (CID 108532435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).