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

C18H22N2O2 — CID 51944062

IUPAC1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc([C@@H](O)CNC(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H22N2O2/c1-12-4-7-15(8-5-12)17(21)11-19-18(22)20-16-9-6-13(2)14(3)10-16/h4-10,17,21H,11H2,1-3H3,(H2,19,20,22)/t17-/m0/s1
InChIKeyAHADNPQPWHDFHK-KRWDZBQOSA-N
MW298.39 g/mol
LogP3.47
Rot. Bonds4

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

1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea (PubChem CID 51944062) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
PubChem CID51944062
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc([C@@H](O)CNC(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H22N2O2/c1-12-4-7-15(8-5-12)17(21)11-19-18(22)20-16-9-6-13(2)14(3)10-16/h4-10,17,21H,11H2,1-3H3,(H2,19,20,22)/t17-/m0/s1
InChIKeyAHADNPQPWHDFHK-KRWDZBQOSA-N
XLogP3.47
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 38283937
1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 51944765
1-(3,4-dimethylphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea
CID 90536682
1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea
CID 124855662
1-(2-hydroxy-2-phenylethyl)-3-(3-methyl-4-nitrophenyl)urea
CID 75518134
1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497477
1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346481
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 111115027
1-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 46494085
1-(2-chloroethyl)-3-(3,4-dimethylphenyl)urea
CID 10105129
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea
CID 110890330
N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide
CID 86889809

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea (CID 51944062) is 1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea is Cc1ccc([C@@H](O)CNC(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The InChIKey is AHADNPQPWHDFHK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-4-7-15(8-5-12)17(21)11-19-18(22)20-16-9-6-13(2)14(3)10-16/h4-10,17,21H,11H2,1-3H3,(H2,19,20,22)/t17-/m0/s1.
What are the key properties of 1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea?
1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea has a molecular weight of 298.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 51944062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).