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

C19H24N2O2 — CID 108874354

IUPAC1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O2/c1-5-23-17-12-10-16(11-13-17)21-18(22)20-15-8-6-14(7-9-15)19(2,3)4/h6-13H,5H2,1-4H3,(H2,20,21,22)
InChIKeyJLGQUWIERNDNGM-UHFFFAOYSA-N
MW312.41 g/mol
LogP5.03
Rot. Bonds4

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

1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea (PubChem CID 108874354) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
PubChem CID108874354
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O2/c1-5-23-17-12-10-16(11-13-17)21-18(22)20-15-8-6-14(7-9-15)19(2,3)4/h6-13H,5H2,1-4H3,(H2,20,21,22)
InChIKeyJLGQUWIERNDNGM-UHFFFAOYSA-N
XLogP5.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.41
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213639
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
N-[(4-ethoxyphenyl)carbamoyl]formamide
CID 174454424
1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874290
1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874274
1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041
1-(4-tert-butylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972107
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide
CID 26242416
2-chloro-N-[(4-ethoxyphenyl)carbamoyl]acetamide
CID 12585306
N-[(4-ethoxyphenyl)carbamoyl]benzamide
CID 2986057

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea (CID 108874354) is 1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)Nc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea?
The InChIKey is JLGQUWIERNDNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-5-23-17-12-10-16(11-13-17)21-18(22)20-15-8-6-14(7-9-15)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-ethoxyphenyl)urea?
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea has a molecular weight of 312.41 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 108874354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).