1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea

C17H20N2O2 — CID 61346481

IUPAC1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(C(C)O)cc2)cc1C
InChIInChI=1S/C17H20N2O2/c1-11-4-7-16(10-12(11)2)19-17(21)18-15-8-5-14(6-9-15)13(3)20/h4-10,13,20H,1-3H3,(H2,18,19,21)
InChIKeyPILJWMFPUOESKC-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.00
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea

1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea (PubChem CID 61346481) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
PubChem CID61346481
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(C(C)O)cc2)cc1C
InChIInChI=1S/C17H20N2O2/c1-11-4-7-16(10-12(11)2)19-17(21)18-15-8-5-14(6-9-15)13(3)20/h4-10,13,20H,1-3H3,(H2,18,19,21)
InChIKeyPILJWMFPUOESKC-UHFFFAOYSA-N
XLogP4.00
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
1-(3-chlorophenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 60723574
1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea
CID 5096263
1-(4-bromo-3-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991650
1-(3-ethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61348000
1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea
CID 108895471
(2R)-2-[(3,4-dimethylphenyl)carbamoylamino]propanoic acid
CID 54991355
N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide
CID 43416665
1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 51944062
1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346848
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea (CID 61346481) is 1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea is Cc1ccc(NC(=O)Nc2ccc(C(C)O)cc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The InChIKey is PILJWMFPUOESKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-4-7-16(10-12(11)2)19-17(21)18-15-8-5-14(6-9-15)13(3)20/h4-10,13,20H,1-3H3,(H2,18,19,21).
What are the key properties of 1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea has a molecular weight of 284.36 g/mol, XLogP of 4.00, 3 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-[4-(1-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 61346481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).