N'-(2,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide

C18H20N2O5 — CID 2248722

IUPACN'-(2,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C18H20N2O5/c1-23-13-6-4-12(5-7-13)11-19-17(21)18(22)20-15-9-8-14(24-2)10-16(15)25-3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyQFGRLZMZNBFRSQ-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.97
Rot. Bonds6

About N'-(2,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide

N'-(2,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide (PubChem CID 2248722) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is N'-(2,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
PubChem CID2248722
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC NameN'-(2,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C18H20N2O5/c1-23-13-6-4-12(5-7-13)11-19-17(21)18(22)20-15-9-8-14(24-2)10-16(15)25-3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyQFGRLZMZNBFRSQ-UHFFFAOYSA-N
XLogP1.97
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-(2,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide (CID 2248722) is N'-(2,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-(2,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-(2,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide is COc1ccc(CNC(=O)C(=O)Nc2ccc(OC)cc2OC)cc1.
What is the InChIKey of N'-(2,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide?
The InChIKey is QFGRLZMZNBFRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-23-13-6-4-12(5-7-13)11-19-17(21)18(22)20-15-9-8-14(24-2)10-16(15)25-3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide?
N'-(2,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide has a molecular weight of 344.37 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 2248722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).