1-(2-tert-butylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea

C21H28N2O — CID 5094331

IUPAC1-(2-tert-butylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)Nc2ccccc2C(C)(C)C)c(C)c1
InChIInChI=1S/C21H28N2O/c1-15-10-11-17(16(2)14-15)12-13-22-20(24)23-19-9-7-6-8-18(19)21(3,4)5/h6-11,14H,12-13H2,1-5H3,(H2,22,23,24)
InChIKeyOBWUOKUBYXSACD-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.97
Rot. Bonds4

About 1-(2-tert-butylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea

1-(2-tert-butylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea (PubChem CID 5094331) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
PubChem CID5094331
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-(2-tert-butylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)Nc2ccccc2C(C)(C)C)c(C)c1
InChIInChI=1S/C21H28N2O/c1-15-10-11-17(16(2)14-15)12-13-22-20(24)23-19-9-7-6-8-18(19)21(3,4)5/h6-11,14H,12-13H2,1-5H3,(H2,22,23,24)
InChIKeyOBWUOKUBYXSACD-UHFFFAOYSA-N
XLogP4.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-tert-butyl-6-methylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 3672208
1-(2,4-dimethylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 3766021
1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-phenylethyl)urea
CID 3381220
1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899779
1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52543091
1-[2-(2,4-dimethylphenyl)ethyl]-3-propylurea
CID 110775694
1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea
CID 47195294
1-[2-(2,4-dimethylphenyl)ethyl]-3-(3-ethylphenyl)urea
CID 3831940
1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea
CID 841120
1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52590743
1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 108991730
1-[2-(2,4-dimethylphenyl)ethyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 3716909

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea?
The IUPAC name of 1-(2-tert-butylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea (CID 5094331) is 1-(2-tert-butylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-tert-butylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea?
The canonical SMILES for 1-(2-tert-butylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea is Cc1ccc(CCNC(=O)Nc2ccccc2C(C)(C)C)c(C)c1.
What is the InChIKey of 1-(2-tert-butylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea?
The InChIKey is OBWUOKUBYXSACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-15-10-11-17(16(2)14-15)12-13-22-20(24)23-19-9-7-6-8-18(19)21(3,4)5/h6-11,14H,12-13H2,1-5H3,(H2,22,23,24).
What are the key properties of 1-(2-tert-butylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea?
1-(2-tert-butylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea has a molecular weight of 324.47 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea is sourced from PubChem (CID 5094331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).