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

C21H32N2O3 — CID 108517414

IUPACN-cyclododecyl-N'-(4-hydroxyphenyl)-N'-methyloxamide
SMILESCN(C(=O)C(=O)NC1CCCCCCCCCCC1)c1ccc(O)cc1
InChIInChI=1S/C21H32N2O3/c1-23(18-13-15-19(24)16-14-18)21(26)20(25)22-17-11-9-7-5-3-2-4-6-8-10-12-17/h13-17,24H,2-12H2,1H3,(H,22,25)
InChIKeyHKTJFRLNJLVTSP-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.14
Rot. Bonds2

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

N-cyclododecyl-N'-(4-hydroxyphenyl)-N'-methyloxamide (PubChem CID 108517414) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-cyclododecyl-N'-(4-hydroxyphenyl)-N'-methyloxamide.

Molecular Properties

Compound NameN-cyclododecyl-N'-(4-hydroxyphenyl)-N'-methyloxamide
PubChem CID108517414
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-cyclododecyl-N'-(4-hydroxyphenyl)-N'-methyloxamide
SMILESCN(C(=O)C(=O)NC1CCCCCCCCCCC1)c1ccc(O)cc1
InChIInChI=1S/C21H32N2O3/c1-23(18-13-15-19(24)16-14-18)21(26)20(25)22-17-11-9-7-5-3-2-4-6-8-10-12-17/h13-17,24H,2-12H2,1H3,(H,22,25)
InChIKeyHKTJFRLNJLVTSP-UHFFFAOYSA-N
XLogP4.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclododecyl-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-cyclohexyl-N'-[4-(dimethylamino)phenyl]oxamide
CID 7585513
2-cyclohexyl-N-(4-hydroxyphenyl)-N-methylacetamide
CID 43210198
2-[4-[acetyl(methyl)amino]phenyl]-N-cyclohexylacetamide
CID 110674830
N'-benzyl-N-cyclododecyl-N'-methyloxamide
CID 108517350
1-(4-cyanophenyl)-3-cyclohexyl-1-methylurea
CID 62981204
2-cyclopentyl-N-(4-hydroxyphenyl)-N-methylacetamide
CID 28738996
2-(cyclopropylamino)-N-(4-hydroxyphenyl)-N-methylacetamide
CID 103606290
3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea
CID 107734155
N-cyclohexyl-N'-(2-hydroxyethyl)-N'-methyloxamide
CID 108504394
N-(2,4-difluorophenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108528497
N'-(4-hydroxyphenyl)-N'-methyl-N-(2,4,6-trimethylphenyl)oxamide
CID 108512267
N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 47262934

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-N'-(4-hydroxyphenyl)-N'-methyloxamide?
The IUPAC name of N-cyclododecyl-N'-(4-hydroxyphenyl)-N'-methyloxamide (CID 108517414) is N-cyclododecyl-N'-(4-hydroxyphenyl)-N'-methyloxamide.
What is the SMILES notation for N-cyclododecyl-N'-(4-hydroxyphenyl)-N'-methyloxamide?
The canonical SMILES for N-cyclododecyl-N'-(4-hydroxyphenyl)-N'-methyloxamide is CN(C(=O)C(=O)NC1CCCCCCCCCCC1)c1ccc(O)cc1.
What is the InChIKey of N-cyclododecyl-N'-(4-hydroxyphenyl)-N'-methyloxamide?
The InChIKey is HKTJFRLNJLVTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-23(18-13-15-19(24)16-14-18)21(26)20(25)22-17-11-9-7-5-3-2-4-6-8-10-12-17/h13-17,24H,2-12H2,1H3,(H,22,25).
What are the key properties of N-cyclododecyl-N'-(4-hydroxyphenyl)-N'-methyloxamide?
N-cyclododecyl-N'-(4-hydroxyphenyl)-N'-methyloxamide has a molecular weight of 360.50 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-N'-(4-hydroxyphenyl)-N'-methyloxamide is sourced from PubChem (CID 108517414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).