N'-(4-hydroxyphenyl)-N-(3-methoxypropyl)-N'-methyloxamide

C13H18N2O4 — CID 108506421

IUPACN'-(4-hydroxyphenyl)-N-(3-methoxypropyl)-N'-methyloxamide
SMILESCOCCCNC(=O)C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C13H18N2O4/c1-15(10-4-6-11(16)7-5-10)13(18)12(17)14-8-3-9-19-2/h4-7,16H,3,8-9H2,1-2H3,(H,14,17)
InChIKeyYFSAGBNGSBOVBR-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.51
Rot. Bonds5

About N'-(4-hydroxyphenyl)-N-(3-methoxypropyl)-N'-methyloxamide

N'-(4-hydroxyphenyl)-N-(3-methoxypropyl)-N'-methyloxamide (PubChem CID 108506421) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N'-(4-hydroxyphenyl)-N-(3-methoxypropyl)-N'-methyloxamide.

Molecular Properties

Compound NameN'-(4-hydroxyphenyl)-N-(3-methoxypropyl)-N'-methyloxamide
PubChem CID108506421
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN'-(4-hydroxyphenyl)-N-(3-methoxypropyl)-N'-methyloxamide
SMILESCOCCCNC(=O)C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C13H18N2O4/c1-15(10-4-6-11(16)7-5-10)13(18)12(17)14-8-3-9-19-2/h4-7,16H,3,8-9H2,1-2H3,(H,14,17)
InChIKeyYFSAGBNGSBOVBR-UHFFFAOYSA-N
XLogP0.51
TPSA78.87 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 ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(4-hydroxyphenyl)-3-(3-methoxypropyl)-1-methylthiourea
CID 3940621
N-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-N-methylacetamide
CID 113219820
N-(5-hydroxypentyl)-N'-methyl-N'-phenyloxamide
CID 108520926
3-[3-(2,6-dimethylphenoxy)propyl]-1-(4-hydroxyphenyl)-1-methylurea
CID 108881752
N-[3-(diethylamino)propyl]-N'-methyl-N'-phenyloxamide
CID 108520921
2-(3-hydroxy-N-methylanilino)-N-(3-methoxypropyl)acetamide
CID 75430959
3-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)propanamide
CID 110464572
4-(diethylamino)-N-(3-methoxypropyl)benzamide
CID 17310827
4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51098419
N-(3-methoxypropyl)-N'-phenyloxamide
CID 3437698
N-(4-butylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108502467
N-(2-ethoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108528439

Frequently Asked Questions

What is the IUPAC name of N'-(4-hydroxyphenyl)-N-(3-methoxypropyl)-N'-methyloxamide?
The IUPAC name of N'-(4-hydroxyphenyl)-N-(3-methoxypropyl)-N'-methyloxamide (CID 108506421) is N'-(4-hydroxyphenyl)-N-(3-methoxypropyl)-N'-methyloxamide.
What is the SMILES notation for N'-(4-hydroxyphenyl)-N-(3-methoxypropyl)-N'-methyloxamide?
The canonical SMILES for N'-(4-hydroxyphenyl)-N-(3-methoxypropyl)-N'-methyloxamide is COCCCNC(=O)C(=O)N(C)c1ccc(O)cc1.
What is the InChIKey of N'-(4-hydroxyphenyl)-N-(3-methoxypropyl)-N'-methyloxamide?
The InChIKey is YFSAGBNGSBOVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-15(10-4-6-11(16)7-5-10)13(18)12(17)14-8-3-9-19-2/h4-7,16H,3,8-9H2,1-2H3,(H,14,17).
What are the key properties of N'-(4-hydroxyphenyl)-N-(3-methoxypropyl)-N'-methyloxamide?
N'-(4-hydroxyphenyl)-N-(3-methoxypropyl)-N'-methyloxamide has a molecular weight of 266.30 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxyphenyl)-N-(3-methoxypropyl)-N'-methyloxamide is sourced from PubChem (CID 108506421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).