1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea

C20H24N2O — CID 113215100

IUPAC1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea
SMILESCC(C)(C)c1ccc(NC(=O)NC2(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O/c1-19(2,3)15-9-11-17(12-10-15)21-18(23)22-20(13-14-20)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H2,21,22,23)
InChIKeyRCEZEXZACZRLLE-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.79
Rot. Bonds3

About 1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea

1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea (PubChem CID 113215100) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea
PubChem CID113215100
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea
SMILESCC(C)(C)c1ccc(NC(=O)NC2(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O/c1-19(2,3)15-9-11-17(12-10-15)21-18(23)22-20(13-14-20)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H2,21,22,23)
InChIKeyRCEZEXZACZRLLE-UHFFFAOYSA-N
XLogP4.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-hydroxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469255
1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215141
1-(1-phenylcyclopropyl)-3-(4-phenylmethoxyphenyl)urea
CID 113215142
N-[1-(4-tert-butylphenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 164853883
1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469284
1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea
CID 110491033
1-(3-methoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215113
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylcyclopropyl)urea
CID 113215154
1-(3-methyl-1-benzofuran-5-yl)-3-(1-phenylcyclopropyl)urea
CID 139008434
1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215296
1-(1-adamantyl)-3-(4-tert-butylphenyl)urea
CID 108884866
1-[1-(4-methylphenyl)cyclopropyl]-3-(4-phenylmethoxyphenyl)urea
CID 113215329

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea (CID 113215100) is 1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea is CC(C)(C)c1ccc(NC(=O)NC2(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea?
The InChIKey is RCEZEXZACZRLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-19(2,3)15-9-11-17(12-10-15)21-18(23)22-20(13-14-20)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea?
1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea has a molecular weight of 308.43 g/mol, XLogP of 4.79, 3 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-(1-phenylcyclopropyl)urea is sourced from PubChem (CID 113215100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).