N'-cyclohexyl-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide

C19H28N2O4 — CID 90536592

IUPACN'-cyclohexyl-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide
SMILESCc1ccc(C(CNC(=O)C(=O)NC2CCCCC2)OCCO)cc1
InChIInChI=1S/C19H28N2O4/c1-14-7-9-15(10-8-14)17(25-12-11-22)13-20-18(23)19(24)21-16-5-3-2-4-6-16/h7-10,16-17,22H,2-6,11-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyWKMANCVUMXJREC-UHFFFAOYSA-N
MW348.44 g/mol
LogP1.61
Rot. Bonds7

About N'-cyclohexyl-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide

N'-cyclohexyl-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide (PubChem CID 90536592) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N'-cyclohexyl-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide
PubChem CID90536592
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN'-cyclohexyl-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide
SMILESCc1ccc(C(CNC(=O)C(=O)NC2CCCCC2)OCCO)cc1
InChIInChI=1S/C19H28N2O4/c1-14-7-9-15(10-8-14)17(25-12-11-22)13-20-18(23)19(24)21-16-5-3-2-4-6-16/h7-10,16-17,22H,2-6,11-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyWKMANCVUMXJREC-UHFFFAOYSA-N
XLogP1.61
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide
CID 90536659
1-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-(2-methoxyethyl)urea
CID 90536676
N'-cycloheptyl-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 18583526
N'-cycloheptyl-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide
CID 90581640
1-(3,4-dimethylphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea
CID 90536682
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide
CID 90623941
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide
CID 90623934
N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110
N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 90536420
N'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 73168553
1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 94192175

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide?
The IUPAC name of N'-cyclohexyl-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide (CID 90536592) is N'-cyclohexyl-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-cyclohexyl-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide?
The canonical SMILES for N'-cyclohexyl-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide is Cc1ccc(C(CNC(=O)C(=O)NC2CCCCC2)OCCO)cc1.
What is the InChIKey of N'-cyclohexyl-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide?
The InChIKey is WKMANCVUMXJREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-14-7-9-15(10-8-14)17(25-12-11-22)13-20-18(23)19(24)21-16-5-3-2-4-6-16/h7-10,16-17,22H,2-6,11-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-cyclohexyl-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide?
N'-cyclohexyl-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide has a molecular weight of 348.44 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide is sourced from PubChem (CID 90536592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).