N-(4-butylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide

C19H22N2O3 — CID 108502467

IUPACN-(4-butylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
SMILESCCCCc1ccc(NC(=O)C(=O)N(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-4-5-14-6-8-15(9-7-14)20-18(23)19(24)21(2)16-10-12-17(22)13-11-16/h6-13,22H,3-5H2,1-2H3,(H,20,23)
InChIKeyBQQYSIRCSGJHAG-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.34
Rot. Bonds5

About N-(4-butylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide

N-(4-butylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide (PubChem CID 108502467) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(4-butylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
PubChem CID108502467
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(4-butylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
SMILESCCCCc1ccc(NC(=O)C(=O)N(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-4-5-14-6-8-15(9-7-14)20-18(23)19(24)21(2)16-10-12-17(22)13-11-16/h6-13,22H,3-5H2,1-2H3,(H,20,23)
InChIKeyBQQYSIRCSGJHAG-UHFFFAOYSA-N
XLogP3.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-butylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide 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,N'-bis(4-butylphenyl)oxamide
CID 3438016
N'-(4-hydroxyphenyl)-N'-methyl-N-(4-nitrophenyl)oxamide
CID 108513177
4-butylphenol;tungsten
CID 174758928
N-(4-dodecylphenyl)-2-methylprop-2-enamide
CID 58819798
N-(2,6-dimethylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108528473
N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416
N-(2-ethyl-6-methylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108512103
4-butylphenol;propanoic acid
CID 70308169
(E)-N-(4-butylphenyl)-2-methylpent-2-enamide
CID 142913201
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
lithium;4-butylphenol;hydride
CID 174758234
N'-(4-dodecylphenyl)oxamide
CID 118096540

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
The IUPAC name of N-(4-butylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide (CID 108502467) is N-(4-butylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide.
What is the SMILES notation for N-(4-butylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
The canonical SMILES for N-(4-butylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide is CCCCc1ccc(NC(=O)C(=O)N(C)c2ccc(O)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
The InChIKey is BQQYSIRCSGJHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-4-5-14-6-8-15(9-7-14)20-18(23)19(24)21(2)16-10-12-17(22)13-11-16/h6-13,22H,3-5H2,1-2H3,(H,20,23).
What are the key properties of N-(4-butylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide?
N-(4-butylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide has a molecular weight of 326.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide is sourced from PubChem (CID 108502467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).