1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea

C20H20N2O3 — CID 111111377

IUPAC1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea
SMILESO=C(NCc1ccc(O)cc1)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C20H20N2O3/c23-18-9-5-14(6-10-18)12-21-20(25)22-13-19(24)17-8-7-15-3-1-2-4-16(15)11-17/h1-11,19,23-24H,12-13H2,(H2,21,22,25)
InChIKeyJSKLQRJLSPUSQO-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.08
Rot. Bonds5

About 1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea

1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea (PubChem CID 111111377) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea
PubChem CID111111377
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea
SMILESO=C(NCc1ccc(O)cc1)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C20H20N2O3/c23-18-9-5-14(6-10-18)12-21-20(25)22-13-19(24)17-8-7-15-3-1-2-4-16(15)11-17/h1-11,19,23-24H,12-13H2,(H2,21,22,25)
InChIKeyJSKLQRJLSPUSQO-UHFFFAOYSA-N
XLogP3.08
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 95189163
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea
CID 110895643
(1R)-2-(benzylamino)-1-naphthalen-2-ylethanol
CID 93383727
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]urea
CID 86903823
1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 95189519
1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 95189244
1-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119281081
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 95618415
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-(4-methoxyphenyl)acetamide
CID 56785818
1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
CID 111111298
N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide
CID 95618412

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea?
The IUPAC name of 1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea (CID 111111377) is 1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea is O=C(NCc1ccc(O)cc1)NCC(O)c1ccc2ccccc2c1.
What is the InChIKey of 1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea?
The InChIKey is JSKLQRJLSPUSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-18-9-5-14(6-10-18)12-21-20(25)22-13-19(24)17-8-7-15-3-1-2-4-16(15)11-17/h1-11,19,23-24H,12-13H2,(H2,21,22,25).
What are the key properties of 1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea?
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea has a molecular weight of 336.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea is sourced from PubChem (CID 111111377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).