1-tert-butyl-3-(4-propylphenyl)urea

C14H22N2O — CID 113218267

IUPAC1-tert-butyl-3-(4-propylphenyl)urea
SMILESCCCc1ccc(NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-5-6-11-7-9-12(10-8-11)15-13(17)16-14(2,3)4/h7-10H,5-6H2,1-4H3,(H2,15,16,17)
InChIKeyUALHTWCKSWXVAI-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.56
Rot. Bonds3

About 1-tert-butyl-3-(4-propylphenyl)urea

1-tert-butyl-3-(4-propylphenyl)urea (PubChem CID 113218267) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-propylphenyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(4-propylphenyl)urea
PubChem CID113218267
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-tert-butyl-3-(4-propylphenyl)urea
SMILESCCCc1ccc(NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-5-6-11-7-9-12(10-8-11)15-13(17)16-14(2,3)4/h7-10H,5-6H2,1-4H3,(H2,15,16,17)
InChIKeyUALHTWCKSWXVAI-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-[(4-propylphenyl)carbamoylamino]propanoic acid
CID 61265165
1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303
1-(4-butan-2-ylphenyl)-3-tert-butylurea
CID 6471062
1-tert-butyl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 43508324
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
2-amino-N-(4-propylphenyl)acetamide
CID 43216495
1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975
4-amino-3,3-dimethyl-N-(4-propylphenyl)butanamide
CID 115157180
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
2-hydrazinyl-2-oxo-N-(4-propylphenyl)acetamide
CID 43378780
(2S)-3-methyl-2-[(4-propylphenyl)carbamoylamino]butanoic acid
CID 61197691
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-propylphenyl)urea?
The IUPAC name of 1-tert-butyl-3-(4-propylphenyl)urea (CID 113218267) is 1-tert-butyl-3-(4-propylphenyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(4-propylphenyl)urea?
The canonical SMILES for 1-tert-butyl-3-(4-propylphenyl)urea is CCCc1ccc(NC(=O)NC(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-3-(4-propylphenyl)urea?
The InChIKey is UALHTWCKSWXVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-6-11-7-9-12(10-8-11)15-13(17)16-14(2,3)4/h7-10H,5-6H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-tert-butyl-3-(4-propylphenyl)urea?
1-tert-butyl-3-(4-propylphenyl)urea has a molecular weight of 234.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-propylphenyl)urea is sourced from PubChem (CID 113218267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).