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

C20H26N2O — CID 108884934

IUPAC1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea
SMILESCC(C)(C)c1ccc(NC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-20(2,3)17-11-13-18(14-12-17)22-19(23)21-15-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-14H,7,10,15H2,1-3H3,(H2,21,22,23)
InChIKeyYXBMFKURUMTIBA-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.74
Rot. Bonds5

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

1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea (PubChem CID 108884934) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea
PubChem CID108884934
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea
SMILESCC(C)(C)c1ccc(NC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-20(2,3)17-11-13-18(14-12-17)22-19(23)21-15-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-14H,7,10,15H2,1-3H3,(H2,21,22,23)
InChIKeyYXBMFKURUMTIBA-UHFFFAOYSA-N
XLogP4.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
CID 108867243
N-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide
CID 109005056
1-(4-aminophenyl)-3-(4-phenylbutyl)urea
CID 108897090
3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid
CID 28510898
N-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]formamide
CID 108884840
1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213276
2-[(4-tert-butylphenyl)methylamino]-N-(3-phenylpropyl)acetamide
CID 118398481
(E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 6278792
1-(4-tert-butylphenyl)-3-[3-(2-chlorophenoxy)propyl]urea
CID 108883554
N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287084
4-tert-butyl-N-(4-phenylbutyl)aniline
CID 114333099
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea (CID 108884934) is 1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea is CC(C)(C)c1ccc(NC(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea?
The InChIKey is YXBMFKURUMTIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-20(2,3)17-11-13-18(14-12-17)22-19(23)21-15-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-14H,7,10,15H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea?
1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea has a molecular weight of 310.44 g/mol, XLogP of 4.74, 5 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-(3-phenylpropyl)urea is sourced from PubChem (CID 108884934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).