N'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide

C17H17N3O5 — CID 108513035

IUPACN'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C17H17N3O5/c1-10-6-11(2)8-12(7-10)18-16(21)17(22)19-14-5-4-13(20(23)24)9-15(14)25-3/h4-9H,1-3H3,(H,18,21)(H,19,22)
InChIKeyBGGWUEUMCOQIAA-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.80
Rot. Bonds4

About N'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide

N'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide (PubChem CID 108513035) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
PubChem CID108513035
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C17H17N3O5/c1-10-6-11(2)8-12(7-10)18-16(21)17(22)19-14-5-4-13(20(23)24)9-15(14)25-3/h4-9H,1-3H3,(H,18,21)(H,19,22)
InChIKeyBGGWUEUMCOQIAA-UHFFFAOYSA-N
XLogP2.80
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.80
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-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide
CID 108513014
N'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513088
N'-(2-methoxy-4-nitrophenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 108512912
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513016
2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 53266234
N'-butan-2-yl-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108505403
N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224349
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide
CID 45001006
2-(azepan-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
CID 108512934
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
4-bromo-N-(2-methoxy-4-nitrophenyl)benzamide
CID 5234028

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide?
The IUPAC name of N'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide (CID 108513035) is N'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide?
The InChIKey is BGGWUEUMCOQIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-10-6-11(2)8-12(7-10)18-16(21)17(22)19-14-5-4-13(20(23)24)9-15(14)25-3/h4-9H,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide?
N'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide has a molecular weight of 343.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide is sourced from PubChem (CID 108513035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).