N-(3-methoxyphenyl)-N'-(2-methyl-5-nitrophenyl)oxamide

C16H15N3O5 — CID 18588906

IUPACN-(3-methoxyphenyl)-N'-(2-methyl-5-nitrophenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1
InChIInChI=1S/C16H15N3O5/c1-10-6-7-12(19(22)23)9-14(10)18-16(21)15(20)17-11-4-3-5-13(8-11)24-2/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKeyBVGOKPQYLNKQDH-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.49
Rot. Bonds4

About N-(3-methoxyphenyl)-N'-(2-methyl-5-nitrophenyl)oxamide

N-(3-methoxyphenyl)-N'-(2-methyl-5-nitrophenyl)oxamide (PubChem CID 18588906) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N'-(2-methyl-5-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N'-(2-methyl-5-nitrophenyl)oxamide
PubChem CID18588906
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-(3-methoxyphenyl)-N'-(2-methyl-5-nitrophenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1
InChIInChI=1S/C16H15N3O5/c1-10-6-7-12(19(22)23)9-14(10)18-16(21)15(20)17-11-4-3-5-13(8-11)24-2/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKeyBVGOKPQYLNKQDH-UHFFFAOYSA-N
XLogP2.49
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.49
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N'-(2-methyl-5-nitrophenyl)oxamide?
The IUPAC name of N-(3-methoxyphenyl)-N'-(2-methyl-5-nitrophenyl)oxamide (CID 18588906) is N-(3-methoxyphenyl)-N'-(2-methyl-5-nitrophenyl)oxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N'-(2-methyl-5-nitrophenyl)oxamide?
The canonical SMILES for N-(3-methoxyphenyl)-N'-(2-methyl-5-nitrophenyl)oxamide is COc1cccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N'-(2-methyl-5-nitrophenyl)oxamide?
The InChIKey is BVGOKPQYLNKQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-10-6-7-12(19(22)23)9-14(10)18-16(21)15(20)17-11-4-3-5-13(8-11)24-2/h3-9H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-methoxyphenyl)-N'-(2-methyl-5-nitrophenyl)oxamide?
N-(3-methoxyphenyl)-N'-(2-methyl-5-nitrophenyl)oxamide has a molecular weight of 329.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N'-(2-methyl-5-nitrophenyl)oxamide is sourced from PubChem (CID 18588906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).