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

C19H24N2O — CID 4616049

IUPAC1-(4-butylphenyl)-3-(4-ethylphenyl)urea
SMILESCCCCc1ccc(NC(=O)Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C19H24N2O/c1-3-5-6-16-9-13-18(14-10-16)21-19(22)20-17-11-7-15(4-2)8-12-17/h7-14H,3-6H2,1-2H3,(H2,20,21,22)
InChIKeyJNQORZWTXJFQQH-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.24
Rot. Bonds6

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

1-(4-butylphenyl)-3-(4-ethylphenyl)urea (PubChem CID 4616049) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-(4-ethylphenyl)urea
PubChem CID4616049
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-(4-butylphenyl)-3-(4-ethylphenyl)urea
SMILESCCCCc1ccc(NC(=O)Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C19H24N2O/c1-3-5-6-16-9-13-18(14-10-16)21-19(22)20-17-11-7-15(4-2)8-12-17/h7-14H,3-6H2,1-2H3,(H2,20,21,22)
InChIKeyJNQORZWTXJFQQH-UHFFFAOYSA-N
XLogP5.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(4-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

1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874274
1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea
CID 108894025
1-(4-butylphenyl)-3-pentan-3-ylurea
CID 17279678
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
1-(4-butylphenyl)-3-naphthalen-2-ylurea
CID 17265768
1-(4-butylphenyl)-3-(2,4,5-trimethylphenyl)urea
CID 3705190
1-(4-ethylphenyl)-3-methylurea
CID 54250791
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
1-(4-heptylphenyl)-3-propylurea
CID 142021842
1-(4-butylphenyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108910903

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-(4-ethylphenyl)urea?
The IUPAC name of 1-(4-butylphenyl)-3-(4-ethylphenyl)urea (CID 4616049) is 1-(4-butylphenyl)-3-(4-ethylphenyl)urea.
What is the SMILES notation for 1-(4-butylphenyl)-3-(4-ethylphenyl)urea?
The canonical SMILES for 1-(4-butylphenyl)-3-(4-ethylphenyl)urea is CCCCc1ccc(NC(=O)Nc2ccc(CC)cc2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-(4-ethylphenyl)urea?
The InChIKey is JNQORZWTXJFQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-3-5-6-16-9-13-18(14-10-16)21-19(22)20-17-11-7-15(4-2)8-12-17/h7-14H,3-6H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(4-butylphenyl)-3-(4-ethylphenyl)urea?
1-(4-butylphenyl)-3-(4-ethylphenyl)urea has a molecular weight of 296.41 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-(4-ethylphenyl)urea is sourced from PubChem (CID 4616049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).