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

C16H18N2O2 — CID 43508574

IUPAC1-[2-(1-hydroxyethyl)phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccccc2C(C)O)cc1
InChIInChI=1S/C16H18N2O2/c1-11-7-9-13(10-8-11)17-16(20)18-15-6-4-3-5-14(15)12(2)19/h3-10,12,19H,1-2H3,(H2,17,18,20)
InChIKeyYNHRARQRMQACTK-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.69
Rot. Bonds3

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

1-[2-(1-hydroxyethyl)phenyl]-3-(4-methylphenyl)urea (PubChem CID 43508574) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[2-(1-hydroxyethyl)phenyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(1-hydroxyethyl)phenyl]-3-(4-methylphenyl)urea
PubChem CID43508574
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-[2-(1-hydroxyethyl)phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccccc2C(C)O)cc1
InChIInChI=1S/C16H18N2O2/c1-11-7-9-13(10-8-11)17-16(20)18-15-6-4-3-5-14(15)12(2)19/h3-10,12,19H,1-2H3,(H2,17,18,20)
InChIKeyYNHRARQRMQACTK-UHFFFAOYSA-N
XLogP3.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea
CID 43437759
2-methyl-N-[2-methyl-6-[(4-methylphenyl)carbamoylamino]phenyl]propanamide
CID 46949694
1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea
CID 841120
(2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide
CID 7986637
1-(4-methylphenyl)-3-[2-[(4-methylphenyl)sulfanylcarbamoylamino]phenyl]sulfanylurea
CID 123158450
1-(4-fluorophenyl)-3-[2-[1-(methylamino)ethyl]phenyl]urea
CID 43508295
ethyl 4-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
CID 108991621
2-acetamido-N-[2-(1-hydroxyethyl)phenyl]propanamide
CID 54963356
3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62727616
1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea
CID 43437708
tris(1-(2-methylphenyl)-3-(4-propan-2-ylphenyl)urea);1-(3-methylphenyl)-3-(4-propan-2-ylphenyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 157479666
2-(2-bromophenyl)-2-hydroxy-N-(4-methylphenyl)acetamide
CID 141424634

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxyethyl)phenyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[2-(1-hydroxyethyl)phenyl]-3-(4-methylphenyl)urea (CID 43508574) is 1-[2-(1-hydroxyethyl)phenyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[2-(1-hydroxyethyl)phenyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[2-(1-hydroxyethyl)phenyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccccc2C(C)O)cc1.
What is the InChIKey of 1-[2-(1-hydroxyethyl)phenyl]-3-(4-methylphenyl)urea?
The InChIKey is YNHRARQRMQACTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-7-9-13(10-8-11)17-16(20)18-15-6-4-3-5-14(15)12(2)19/h3-10,12,19H,1-2H3,(H2,17,18,20).
What are the key properties of 1-[2-(1-hydroxyethyl)phenyl]-3-(4-methylphenyl)urea?
1-[2-(1-hydroxyethyl)phenyl]-3-(4-methylphenyl)urea has a molecular weight of 270.33 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxyethyl)phenyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 43508574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).