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

C13H18N2O4 — CID 90536659

IUPACN'-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide
SMILESCc1ccc(C(CNC(=O)C(N)=O)OCCO)cc1
InChIInChI=1S/C13H18N2O4/c1-9-2-4-10(5-3-9)11(19-7-6-16)8-15-13(18)12(14)17/h2-5,11,16H,6-8H2,1H3,(H2,14,17)(H,15,18)
InChIKeyJCQZJYQWUBWSCD-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.35
Rot. Bonds6

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

N'-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide (PubChem CID 90536659) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N'-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide
PubChem CID90536659
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN'-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide
SMILESCc1ccc(C(CNC(=O)C(N)=O)OCCO)cc1
InChIInChI=1S/C13H18N2O4/c1-9-2-4-10(5-3-9)11(19-7-6-16)8-15-13(18)12(14)17/h2-5,11,16H,6-8H2,1H3,(H2,14,17)(H,15,18)
InChIKeyJCQZJYQWUBWSCD-UHFFFAOYSA-N
XLogP-0.35
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

1-ethyl-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea
CID 90536671
N'-cyclohexyl-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide
CID 90536592
1-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-(2-methoxyethyl)urea
CID 90536676
N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-(4-phenylphenyl)acetamide
CID 90536459
1-(3,4-dimethylphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea
CID 90536682
1-(3,4-dimethoxyphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea
CID 90536698
N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-nitrobenzamide
CID 90536393
N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-methoxybenzamide
CID 90536372
N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 90536373
N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 90536420
2-chloro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-5-nitrobenzamide
CID 90536446
4-chloro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-nitrobenzamide
CID 90536447

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide?
The IUPAC name of N'-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide (CID 90536659) is N'-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide?
The canonical SMILES for N'-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide is Cc1ccc(C(CNC(=O)C(N)=O)OCCO)cc1.
What is the InChIKey of N'-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide?
The InChIKey is JCQZJYQWUBWSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-2-4-10(5-3-9)11(19-7-6-16)8-15-13(18)12(14)17/h2-5,11,16H,6-8H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of N'-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide?
N'-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide has a molecular weight of 266.30 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide is sourced from PubChem (CID 90536659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).