N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide

C14H20N2O4 — CID 108983891

IUPACN'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H20N2O4/c1-4-7-15-13(17)14(18)16-9-10-5-6-11(19-2)12(8-10)20-3/h5-6,8H,4,7,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyYOZJXSZITZSZNF-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.85
Rot. Bonds6

About N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide

N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide (PubChem CID 108983891) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide.

Molecular Properties

Compound NameN'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide
PubChem CID108983891
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H20N2O4/c1-4-7-15-13(17)14(18)16-9-10-5-6-11(19-2)12(8-10)20-3/h5-6,8H,4,7,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyYOZJXSZITZSZNF-UHFFFAOYSA-N
XLogP0.85
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide
CID 108985865
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130474
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
3-[(3,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61061288
1-butyl-3-[(3,4-dimethoxyphenyl)methyl]-1-propylurea
CID 108896769
N'-[(3,4-dimethoxyphenyl)methyl]-N-[2-(2-fluorophenyl)ethyl]oxamide
CID 108985181
(3,4-dimethoxyphenyl)methylcarbamothioic S-acid
CID 115169922
N'-[[3-[[[2-oxo-2-(propylamino)acetyl]amino]methyl]phenyl]methyl]-N-propyloxamide
CID 2901283
2-(3,4-dimethoxyphenyl)-2-oxo-N-propylacetamide
CID 94269258
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 3120473

Frequently Asked Questions

What is the IUPAC name of N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide?
The IUPAC name of N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide (CID 108983891) is N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide.
What is the SMILES notation for N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide?
The canonical SMILES for N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide is CCCNC(=O)C(=O)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide?
The InChIKey is YOZJXSZITZSZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-7-15-13(17)14(18)16-9-10-5-6-11(19-2)12(8-10)20-3/h5-6,8H,4,7,9H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide?
N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide has a molecular weight of 280.32 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide is sourced from PubChem (CID 108983891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).