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

C17H17N3O5 — CID 108512912

IUPACN'-(2-methoxy-4-nitrophenyl)-N-[(4-methylphenyl)methyl]oxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C17H17N3O5/c1-11-3-5-12(6-4-11)10-18-16(21)17(22)19-14-8-7-13(20(23)24)9-15(14)25-2/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyGYHDHLBLBWYSCS-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.17
Rot. Bonds5

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

N'-(2-methoxy-4-nitrophenyl)-N-[(4-methylphenyl)methyl]oxamide (PubChem CID 108512912) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N'-(2-methoxy-4-nitrophenyl)-N-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2-methoxy-4-nitrophenyl)-N-[(4-methylphenyl)methyl]oxamide
PubChem CID108512912
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN'-(2-methoxy-4-nitrophenyl)-N-[(4-methylphenyl)methyl]oxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C17H17N3O5/c1-11-3-5-12(6-4-11)10-18-16(21)17(22)19-14-8-7-13(20(23)24)9-15(14)25-2/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyGYHDHLBLBWYSCS-UHFFFAOYSA-N
XLogP2.17
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.17
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-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513088
N'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513035
N'-(2,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2272409
N'-butan-2-yl-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108505403
1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
N-(2-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 17066743
N-(2-methoxy-4-nitrophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide
CID 17066746
2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2892197
N-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide
CID 108513014
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513016
N-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide
CID 2889588

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-4-nitrophenyl)-N-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N'-(2-methoxy-4-nitrophenyl)-N-[(4-methylphenyl)methyl]oxamide (CID 108512912) is N'-(2-methoxy-4-nitrophenyl)-N-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-(2-methoxy-4-nitrophenyl)-N-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-(2-methoxy-4-nitrophenyl)-N-[(4-methylphenyl)methyl]oxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of N'-(2-methoxy-4-nitrophenyl)-N-[(4-methylphenyl)methyl]oxamide?
The InChIKey is GYHDHLBLBWYSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-11-3-5-12(6-4-11)10-18-16(21)17(22)19-14-8-7-13(20(23)24)9-15(14)25-2/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(2-methoxy-4-nitrophenyl)-N-[(4-methylphenyl)methyl]oxamide?
N'-(2-methoxy-4-nitrophenyl)-N-[(4-methylphenyl)methyl]oxamide has a molecular weight of 343.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-4-nitrophenyl)-N-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 108512912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).