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

C19H24N2O — CID 58441349

IUPAC1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O/c1-5-14-6-10-16(11-7-14)20-18(22)21-17-12-8-15(9-13-17)19(2,3)4/h6-13H,5H2,1-4H3,(H2,20,21,22)
InChIKeyCGACOOPLKRDSCQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.19
Rot. Bonds3

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

1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea (PubChem CID 58441349) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
PubChem CID58441349
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O/c1-5-14-6-10-16(11-7-14)20-18(22)21-17-12-8-15(9-13-17)19(2,3)4/h6-13H,5H2,1-4H3,(H2,20,21,22)
InChIKeyCGACOOPLKRDSCQ-UHFFFAOYSA-N
XLogP5.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-ethylphenyl)carbamoylamino]benzoic acid
CID 23551476
1-(4-tert-butylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972107
1-(4-ethylphenyl)-3-methylurea
CID 54250791
2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3309206
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
1-tert-butyl-4-ethylbenzene
CID 157359507
1-ethyl-3-(4-ethylphenyl)urea
CID 20721116
ethane;1-(4-ethylphenyl)-3-methylurea
CID 143679761
1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4111810
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328
2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 79798274

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea (CID 58441349) is 1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea is CCc1ccc(NC(=O)Nc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea?
The InChIKey is CGACOOPLKRDSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-5-14-6-10-16(11-7-14)20-18(22)21-17-12-8-15(9-13-17)19(2,3)4/h6-13H,5H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea?
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea has a molecular weight of 296.41 g/mol, XLogP of 5.19, 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-(4-ethylphenyl)urea is sourced from PubChem (CID 58441349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).