1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea

C18H20N2O3 — CID 38283937

IUPAC1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
SMILESCC(=O)c1ccc(NC(=O)NC[C@H](O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-12-3-5-15(6-4-12)17(22)11-19-18(23)20-16-9-7-14(8-10-16)13(2)21/h3-10,17,22H,11H2,1-2H3,(H2,19,20,23)/t17-/m0/s1
InChIKeyHMBYJVYITZMBSF-KRWDZBQOSA-N
MW312.37 g/mol
LogP3.05
Rot. Bonds5

About 1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea

1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea (PubChem CID 38283937) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
PubChem CID38283937
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
SMILESCC(=O)c1ccc(NC(=O)NC[C@H](O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-12-3-5-15(6-4-12)17(22)11-19-18(23)20-16-9-7-14(8-10-16)13(2)21/h3-10,17,22H,11H2,1-2H3,(H2,19,20,23)/t17-/m0/s1
InChIKeyHMBYJVYITZMBSF-KRWDZBQOSA-N
XLogP3.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 51944062
1-(4-acetylphenyl)-3-[2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 42960513
1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea
CID 66175411
3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66166879
4-(cyclopropylcarbamoylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 52506460
1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 51944765
1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea
CID 3712236
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 111115027
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea
CID 90496420
1-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 15933957
1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[4-[(R)-methylsulfinyl]phenyl]urea
CID 129359261

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea (CID 38283937) is 1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea is CC(=O)c1ccc(NC(=O)NC[C@H](O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The InChIKey is HMBYJVYITZMBSF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-3-5-15(6-4-12)17(22)11-19-18(23)20-16-9-7-14(8-10-16)13(2)21/h3-10,17,22H,11H2,1-2H3,(H2,19,20,23)/t17-/m0/s1.
What are the key properties of 1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea?
1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea has a molecular weight of 312.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 38283937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).