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

C14H22N2O3 — CID 90536671

IUPAC1-ethyl-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea
SMILESCCNC(=O)NCC(OCCO)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O3/c1-3-15-14(18)16-10-13(19-9-8-17)12-6-4-11(2)5-7-12/h4-7,13,17H,3,8-10H2,1-2H3,(H2,15,16,18)
InChIKeyWTMOSJDOPLVCSJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.36
Rot. Bonds7

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

1-ethyl-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea (PubChem CID 90536671) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea
PubChem CID90536671
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-ethyl-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea
SMILESCCNC(=O)NCC(OCCO)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O3/c1-3-15-14(18)16-10-13(19-9-8-17)12-6-4-11(2)5-7-12/h4-7,13,17H,3,8-10H2,1-2H3,(H2,15,16,18)
InChIKeyWTMOSJDOPLVCSJ-UHFFFAOYSA-N
XLogP1.36
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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-(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-(4-phenylphenyl)acetamide
CID 90536459
N'-cyclohexyl-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide
CID 90536592
N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-nitrobenzamide
CID 90536393
N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-methoxybenzamide
CID 90536372
1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea
CID 94214383
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-ethyl-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea (CID 90536671) is 1-ethyl-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-ethyl-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea is CCNC(=O)NCC(OCCO)c1ccc(C)cc1.
What is the InChIKey of 1-ethyl-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea?
The InChIKey is WTMOSJDOPLVCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-15-14(18)16-10-13(19-9-8-17)12-6-4-11(2)5-7-12/h4-7,13,17H,3,8-10H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-ethyl-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea?
1-ethyl-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea has a molecular weight of 266.34 g/mol, XLogP of 1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 90536671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).