3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea

C19H24N2O — CID 108884791

IUPAC3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea
SMILESCCN(C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-5-21(17-9-7-6-8-10-17)18(22)20-16-13-11-15(12-14-16)19(2,3)4/h6-14H,5H2,1-4H3,(H,20,22)
InChIKeyFEXXUQKKEGADOG-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.04
Rot. Bonds3

About 3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea

3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea (PubChem CID 108884791) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea
PubChem CID108884791
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea
SMILESCCN(C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-5-21(17-9-7-6-8-10-17)18(22)20-16-13-11-15(12-14-16)19(2,3)4/h6-14H,5H2,1-4H3,(H,20,22)
InChIKeyFEXXUQKKEGADOG-UHFFFAOYSA-N
XLogP5.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea
CID 3346401
1-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea
CID 108991537
1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea
CID 108991540
3-[[ethyl(phenyl)carbamoyl]amino]-3-methylbutanoic acid
CID 64700830
3-[3-(4-tert-butylphenoxy)propyl]-1-ethyl-1-phenylurea
CID 108882781
1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea
CID 122416480
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea
CID 108991522
1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea
CID 108887668
1-ethyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-1-phenylurea
CID 113213383
N-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108954726
N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea?
The IUPAC name of 3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea (CID 108884791) is 3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea?
The canonical SMILES for 3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea is CCN(C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea?
The InChIKey is FEXXUQKKEGADOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-5-21(17-9-7-6-8-10-17)18(22)20-16-13-11-15(12-14-16)19(2,3)4/h6-14H,5H2,1-4H3,(H,20,22).
What are the key properties of 3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea?
3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea has a molecular weight of 296.41 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea is sourced from PubChem (CID 108884791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).