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

C16H18N2O3 — CID 110894141

IUPAC1-(2-hydroxyethyl)-3-[2-(4-methylphenoxy)phenyl]urea
SMILESCc1ccc(Oc2ccccc2NC(=O)NCCO)cc1
InChIInChI=1S/C16H18N2O3/c1-12-6-8-13(9-7-12)21-15-5-3-2-4-14(15)18-16(20)17-10-11-19/h2-9,19H,10-11H2,1H3,(H2,17,18,20)
InChIKeyHFIRYSHJBTUALY-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.90
Rot. Bonds5

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

1-(2-hydroxyethyl)-3-[2-(4-methylphenoxy)phenyl]urea (PubChem CID 110894141) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[2-(4-methylphenoxy)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[2-(4-methylphenoxy)phenyl]urea
PubChem CID110894141
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(2-hydroxyethyl)-3-[2-(4-methylphenoxy)phenyl]urea
SMILESCc1ccc(Oc2ccccc2NC(=O)NCCO)cc1
InChIInChI=1S/C16H18N2O3/c1-12-6-8-13(9-7-12)21-15-5-3-2-4-14(15)18-16(20)17-10-11-19/h2-9,19H,10-11H2,1H3,(H2,17,18,20)
InChIKeyHFIRYSHJBTUALY-UHFFFAOYSA-N
XLogP2.90
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 38505087
1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea
CID 111105100
1-butyl-3-(2-phenoxyphenyl)urea
CID 604054
1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970105
1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881211
2-methoxy-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 75835937
1-(methoxymethyl)-3-(2-phenoxyphenyl)urea
CID 110676062
2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 114327448
3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide
CID 109034509
(E)-N-[2-(4-methylphenoxy)phenyl]but-2-enamide
CID 78906818
2-(4-fluorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 24681386
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[2-(4-methylphenoxy)phenyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[2-(4-methylphenoxy)phenyl]urea (CID 110894141) is 1-(2-hydroxyethyl)-3-[2-(4-methylphenoxy)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[2-(4-methylphenoxy)phenyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[2-(4-methylphenoxy)phenyl]urea is Cc1ccc(Oc2ccccc2NC(=O)NCCO)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[2-(4-methylphenoxy)phenyl]urea?
The InChIKey is HFIRYSHJBTUALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12-6-8-13(9-7-12)21-15-5-3-2-4-14(15)18-16(20)17-10-11-19/h2-9,19H,10-11H2,1H3,(H2,17,18,20).
What are the key properties of 1-(2-hydroxyethyl)-3-[2-(4-methylphenoxy)phenyl]urea?
1-(2-hydroxyethyl)-3-[2-(4-methylphenoxy)phenyl]urea has a molecular weight of 286.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[2-(4-methylphenoxy)phenyl]urea is sourced from PubChem (CID 110894141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).