1-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-(2-methoxyethyl)urea

C15H24N2O4 — CID 90536676

IUPAC1-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCC(OCCO)c1ccc(C)cc1
InChIInChI=1S/C15H24N2O4/c1-12-3-5-13(6-4-12)14(21-10-8-18)11-17-15(19)16-7-9-20-2/h3-6,14,18H,7-11H2,1-2H3,(H2,16,17,19)
InChIKeyMSRJQIADRRRBEE-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.99
Rot. Bonds9

About 1-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-(2-methoxyethyl)urea

1-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-(2-methoxyethyl)urea (PubChem CID 90536676) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-(2-methoxyethyl)urea
PubChem CID90536676
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCC(OCCO)c1ccc(C)cc1
InChIInChI=1S/C15H24N2O4/c1-12-3-5-13(6-4-12)14(21-10-8-18)11-17-15(19)16-7-9-20-2/h3-6,14,18H,7-11H2,1-2H3,(H2,16,17,19)
InChIKeyMSRJQIADRRRBEE-UHFFFAOYSA-N
XLogP0.99
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-(2-methoxyethyl)urea 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
1-(3,4-dimethylphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea
CID 90536682
N'-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide
CID 90536659
1-(3,4-dimethoxyphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea
CID 90536698
N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-(4-phenylphenyl)acetamide
CID 90536459
N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-methoxybenzamide
CID 90536372
N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-nitrobenzamide
CID 90536393
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
N'-cyclohexyl-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide
CID 90536592
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 1-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-(2-methoxyethyl)urea (CID 90536676) is 1-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-(2-methoxyethyl)urea is COCCNC(=O)NCC(OCCO)c1ccc(C)cc1.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-(2-methoxyethyl)urea?
The InChIKey is MSRJQIADRRRBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-12-3-5-13(6-4-12)14(21-10-8-18)11-17-15(19)16-7-9-20-2/h3-6,14,18H,7-11H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-(2-methoxyethyl)urea?
1-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-(2-methoxyethyl)urea has a molecular weight of 296.37 g/mol, XLogP of 0.99, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 90536676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).