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

C20H26N2O3 — CID 90536682

IUPAC1-(3,4-dimethylphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(C(CNC(=O)Nc2ccc(C)c(C)c2)OCCO)cc1
InChIInChI=1S/C20H26N2O3/c1-14-4-7-17(8-5-14)19(25-11-10-23)13-21-20(24)22-18-9-6-15(2)16(3)12-18/h4-9,12,19,23H,10-11,13H2,1-3H3,(H2,21,22,24)
InChIKeyNOAZFWBEUJQRAU-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.48
Rot. Bonds7

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

1-(3,4-dimethylphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea (PubChem CID 90536682) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea
PubChem CID90536682
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(3,4-dimethylphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(C(CNC(=O)Nc2ccc(C)c(C)c2)OCCO)cc1
InChIInChI=1S/C20H26N2O3/c1-14-4-7-17(8-5-14)19(25-11-10-23)13-21-20(24)22-18-9-6-15(2)16(3)12-18/h4-9,12,19,23H,10-11,13H2,1-3H3,(H2,21,22,24)
InChIKeyNOAZFWBEUJQRAU-UHFFFAOYSA-N
XLogP3.48
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea
CID 90536698
1-ethyl-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea
CID 90536671
1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 51944062
1-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-(2-methoxyethyl)urea
CID 90536676
N'-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide
CID 90536659
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
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'-cyclohexyl-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide
CID 90536592
1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]urea
CID 122162659
N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-nitrobenzamide
CID 90536393
1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea
CID 112974155

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea (CID 90536682) is 1-(3,4-dimethylphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea is Cc1ccc(C(CNC(=O)Nc2ccc(C)c(C)c2)OCCO)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea?
The InChIKey is NOAZFWBEUJQRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14-4-7-17(8-5-14)19(25-11-10-23)13-21-20(24)22-18-9-6-15(2)16(3)12-18/h4-9,12,19,23H,10-11,13H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-(3,4-dimethylphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea?
1-(3,4-dimethylphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 90536682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).