1-(2-tert-butyl-6-methylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea

C22H30N2O — CID 3672208

IUPAC1-(2-tert-butyl-6-methylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)Nc2c(C)cccc2C(C)(C)C)c(C)c1
InChIInChI=1S/C22H30N2O/c1-15-10-11-18(17(3)14-15)12-13-23-21(25)24-20-16(2)8-7-9-19(20)22(4,5)6/h7-11,14H,12-13H2,1-6H3,(H2,23,24,25)
InChIKeyJYZBANYDHPJSOA-UHFFFAOYSA-N
MW338.50 g/mol
LogP5.27
Rot. Bonds4

About 1-(2-tert-butyl-6-methylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea

1-(2-tert-butyl-6-methylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea (PubChem CID 3672208) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-(2-tert-butyl-6-methylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-tert-butyl-6-methylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
PubChem CID3672208
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name1-(2-tert-butyl-6-methylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)Nc2c(C)cccc2C(C)(C)C)c(C)c1
InChIInChI=1S/C22H30N2O/c1-15-10-11-18(17(3)14-15)12-13-23-21(25)24-20-16(2)8-7-9-19(20)22(4,5)6/h7-11,14H,12-13H2,1-6H3,(H2,23,24,25)
InChIKeyJYZBANYDHPJSOA-UHFFFAOYSA-N
XLogP5.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-tert-butylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 5094331
1-(2,4-dimethylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 3766021
1-[2-(2,4-dimethylphenyl)ethyl]-3-(3-ethylphenyl)urea
CID 3831940
1-[2-(2,4-dimethylphenyl)ethyl]-3-propylurea
CID 110775694
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
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide
CID 17456120
1-[2-(2,4-dimethylphenyl)ethyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 3716909
methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate
CID 110787753
1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52543091
1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 60590409
N-[2-(2,4-dimethylphenyl)ethyl]-2-sulfanylacetamide
CID 115167356

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-6-methylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea?
The IUPAC name of 1-(2-tert-butyl-6-methylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea (CID 3672208) is 1-(2-tert-butyl-6-methylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-tert-butyl-6-methylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea?
The canonical SMILES for 1-(2-tert-butyl-6-methylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea is Cc1ccc(CCNC(=O)Nc2c(C)cccc2C(C)(C)C)c(C)c1.
What is the InChIKey of 1-(2-tert-butyl-6-methylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea?
The InChIKey is JYZBANYDHPJSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-15-10-11-18(17(3)14-15)12-13-23-21(25)24-20-16(2)8-7-9-19(20)22(4,5)6/h7-11,14H,12-13H2,1-6H3,(H2,23,24,25).
What are the key properties of 1-(2-tert-butyl-6-methylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea?
1-(2-tert-butyl-6-methylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea has a molecular weight of 338.50 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-6-methylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea is sourced from PubChem (CID 3672208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).