1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea

C17H20N2O3 — CID 111105100

IUPAC1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea
SMILESCc1ccc(Oc2ccccc2NC(=O)N(C)CCO)cc1
InChIInChI=1S/C17H20N2O3/c1-13-7-9-14(10-8-13)22-16-6-4-3-5-15(16)18-17(21)19(2)11-12-20/h3-10,20H,11-12H2,1-2H3,(H,18,21)
InChIKeyQHWBJEZTFWJIBB-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.24
Rot. Bonds5

About 1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea

1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea (PubChem CID 111105100) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea
PubChem CID111105100
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea
SMILESCc1ccc(Oc2ccccc2NC(=O)N(C)CCO)cc1
InChIInChI=1S/C17H20N2O3/c1-13-7-9-14(10-8-13)22-16-6-4-3-5-15(16)18-17(21)19(2)11-12-20/h3-10,20H,11-12H2,1-2H3,(H,18,21)
InChIKeyQHWBJEZTFWJIBB-UHFFFAOYSA-N
XLogP3.24
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxyethyl)-3-[2-(4-methylphenoxy)phenyl]urea
CID 110894141
1-(2-hydroxyethyl)-1-methyl-3-[2-(2-phenylethoxy)phenyl]urea
CID 111431297
1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea
CID 111431455
2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 114327448
(E)-N-[2-(4-methylphenoxy)phenyl]but-2-enamide
CID 78906818
2-methoxy-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 75835937
2-(4-fluorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 24681386
3-acetamido-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 38505087
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
1-(cyclopropylmethyl)-1-methyl-3-[2-(3-methylphenoxy)phenyl]urea
CID 112838266
3-(2-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431097
2-(4-chlorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 7925670

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea (CID 111105100) is 1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea is Cc1ccc(Oc2ccccc2NC(=O)N(C)CCO)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea?
The InChIKey is QHWBJEZTFWJIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13-7-9-14(10-8-13)22-16-6-4-3-5-15(16)18-17(21)19(2)11-12-20/h3-10,20H,11-12H2,1-2H3,(H,18,21).
What are the key properties of 1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea?
1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea has a molecular weight of 300.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea is sourced from PubChem (CID 111105100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).