N'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide

C13H18N2O5 — CID 5210710

IUPACN'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCCCO)cc1OC
InChIInChI=1S/C13H18N2O5/c1-19-10-5-4-9(8-11(10)20-2)15-13(18)12(17)14-6-3-7-16/h4-5,8,16H,3,6-7H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyUWUVVIRVTZXZAL-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.14
Rot. Bonds6

About N'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide

N'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide (PubChem CID 5210710) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is N'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide.

Molecular Properties

Compound NameN'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide
PubChem CID5210710
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC NameN'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCCCO)cc1OC
InChIInChI=1S/C13H18N2O5/c1-19-10-5-4-9(8-11(10)20-2)15-13(18)12(17)14-6-3-7-16/h4-5,8,16H,3,6-7H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyUWUVVIRVTZXZAL-UHFFFAOYSA-N
XLogP0.14
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N'-(3,4-dimethoxyphenyl)oxamide
CID 43315993
N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide
CID 2247264
N'-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585270
N'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892103
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide
CID 2247723
N'-(3,4-dimethoxyphenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide
CID 16891849
N'-(4-fluoro-3-methylphenyl)-N-(3-hydroxypropyl)oxamide
CID 110933503
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
N'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944261
N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide
CID 108519583
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,4-dimethoxyphenyl)oxamide
CID 7585267

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide?
The IUPAC name of N'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide (CID 5210710) is N'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide.
What is the SMILES notation for N'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide?
The canonical SMILES for N'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide is COc1ccc(NC(=O)C(=O)NCCCO)cc1OC.
What is the InChIKey of N'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide?
The InChIKey is UWUVVIRVTZXZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-19-10-5-4-9(8-11(10)20-2)15-13(18)12(17)14-6-3-7-16/h4-5,8,16H,3,6-7H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide?
N'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide has a molecular weight of 282.30 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide is sourced from PubChem (CID 5210710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).