1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea

C21H28N2O — CID 113213276

IUPAC1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea
SMILESCC(C)(C)c1ccc(NC(=O)NCC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C21H28N2O/c1-20(2,3)16-11-13-18(14-12-16)23-19(24)22-15-21(4,5)17-9-7-6-8-10-17/h6-14H,15H2,1-5H3,(H2,22,23,24)
InChIKeyBRVQYLUGECOOIV-UHFFFAOYSA-N
MW324.47 g/mol
LogP5.08
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea

1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea (PubChem CID 113213276) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea
PubChem CID113213276
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea
SMILESCC(C)(C)c1ccc(NC(=O)NCC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C21H28N2O/c1-20(2,3)16-11-13-18(14-12-16)23-19(24)22-15-21(4,5)17-9-7-6-8-10-17/h6-14H,15H2,1-5H3,(H2,22,23,24)
InChIKeyBRVQYLUGECOOIV-UHFFFAOYSA-N
XLogP5.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea
CID 113213273
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
CID 113213293
1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213313
1-methyl-3-(2-methyl-2-phenylpropyl)urea
CID 47166668
1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 121112096
1-(1,3-benzodioxol-5-yl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213317
1-(4-tert-butylphenyl)-3-(chloromethyl)urea
CID 142021832
1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea
CID 108884934
1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213625
3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid
CID 28510898
1-benzyl-3-(2-methyl-2-phenylpropyl)urea
CID 38887064
1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335559

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea (CID 113213276) is 1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea is CC(C)(C)c1ccc(NC(=O)NCC(C)(C)c2ccccc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea?
The InChIKey is BRVQYLUGECOOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-20(2,3)16-11-13-18(14-12-16)23-19(24)22-15-21(4,5)17-9-7-6-8-10-17/h6-14H,15H2,1-5H3,(H2,22,23,24).
What are the key properties of 1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea?
1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea has a molecular weight of 324.47 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea is sourced from PubChem (CID 113213276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).