N'-(2,4-dimethoxyphenyl)-N-propyloxamide

C13H18N2O4 — CID 44995967

IUPACN'-(2,4-dimethoxyphenyl)-N-propyloxamide
SMILESCCCNC(=O)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C13H18N2O4/c1-4-7-14-12(16)13(17)15-10-6-5-9(18-2)8-11(10)19-3/h5-6,8H,4,7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeySPEMYBXQVHIQRV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.17
Rot. Bonds5

About N'-(2,4-dimethoxyphenyl)-N-propyloxamide

N'-(2,4-dimethoxyphenyl)-N-propyloxamide (PubChem CID 44995967) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N'-(2,4-dimethoxyphenyl)-N-propyloxamide.

Molecular Properties

Compound NameN'-(2,4-dimethoxyphenyl)-N-propyloxamide
PubChem CID44995967
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN'-(2,4-dimethoxyphenyl)-N-propyloxamide
SMILESCCCNC(=O)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C13H18N2O4/c1-4-7-14-12(16)13(17)15-10-6-5-9(18-2)8-11(10)19-3/h5-6,8H,4,7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeySPEMYBXQVHIQRV-UHFFFAOYSA-N
XLogP1.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4-dimethoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44998130
N'-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2274190
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 44998127
1-N-(2,4-dimethoxyphenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130555
N'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 90499706
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 108986644
2-(2,4-dimethoxyanilino)-N-propylpropanamide
CID 43087415
5-N-(2,4-dimethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101267
N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide
CID 101065891
N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 3220610
N'-(2,4-dimethoxyphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42390322

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethoxyphenyl)-N-propyloxamide?
The IUPAC name of N'-(2,4-dimethoxyphenyl)-N-propyloxamide (CID 44995967) is N'-(2,4-dimethoxyphenyl)-N-propyloxamide.
What is the SMILES notation for N'-(2,4-dimethoxyphenyl)-N-propyloxamide?
The canonical SMILES for N'-(2,4-dimethoxyphenyl)-N-propyloxamide is CCCNC(=O)C(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of N'-(2,4-dimethoxyphenyl)-N-propyloxamide?
The InChIKey is SPEMYBXQVHIQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-7-14-12(16)13(17)15-10-6-5-9(18-2)8-11(10)19-3/h5-6,8H,4,7H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N'-(2,4-dimethoxyphenyl)-N-propyloxamide?
N'-(2,4-dimethoxyphenyl)-N-propyloxamide has a molecular weight of 266.30 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethoxyphenyl)-N-propyloxamide is sourced from PubChem (CID 44995967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).