1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea

C18H22N2O — CID 4111810

IUPAC1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
SMILESCCc1ccc(NC(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-4-14-5-9-16(10-6-14)19-18(21)20-17-11-7-15(8-12-17)13(2)3/h5-13H,4H2,1-3H3,(H2,19,20,21)
InChIKeyGFUAVWFNSRDMTM-UHFFFAOYSA-N
MW282.39 g/mol
LogP5.02
Rot. Bonds4

About 1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea

1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea (PubChem CID 4111810) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
PubChem CID4111810
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
SMILESCCc1ccc(NC(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-4-14-5-9-16(10-6-14)19-18(21)20-17-11-7-15(8-12-17)13(2)3/h5-13H,4H2,1-3H3,(H2,19,20,21)
InChIKeyGFUAVWFNSRDMTM-UHFFFAOYSA-N
XLogP5.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 4647135
1-(4-ethylphenyl)-3-methylurea
CID 54250791
4-[(4-ethylphenyl)carbamoylamino]benzoic acid
CID 23551476
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
2-[(4-ethylphenyl)carbamoylamino]propanoic acid
CID 4026936
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
1-ethyl-3-(4-ethylphenyl)urea
CID 20721116
ethane;1-(4-ethylphenyl)-3-methylurea
CID 143679761
1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530
2-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113169312
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
3-[(4-ethylphenyl)carbamoylamino]butanoic acid
CID 61190715

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea (CID 4111810) is 1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea is CCc1ccc(NC(=O)Nc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea?
The InChIKey is GFUAVWFNSRDMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-14-5-9-16(10-6-14)19-18(21)20-17-11-7-15(8-12-17)13(2)3/h5-13H,4H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea?
1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea has a molecular weight of 282.39 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 4111810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).