1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea

C17H17N3O — CID 7616033

IUPAC1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea
SMILESCCc1ccc(NC(=O)Nc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H17N3O/c1-2-12-7-9-13(10-8-12)19-17(21)20-16-11-18-15-6-4-3-5-14(15)16/h3-11,18H,2H2,1H3,(H2,19,20,21)
InChIKeyUJZDIKVQFMCLBE-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.37
Rot. Bonds3

About 1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea

1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea (PubChem CID 7616033) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea
PubChem CID7616033
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea
SMILESCCc1ccc(NC(=O)Nc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H17N3O/c1-2-12-7-9-13(10-8-12)19-17(21)20-16-11-18-15-6-4-3-5-14(15)16/h3-11,18H,2H2,1H3,(H2,19,20,21)
InChIKeyUJZDIKVQFMCLBE-UHFFFAOYSA-N
XLogP4.37
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea?
The IUPAC name of 1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea (CID 7616033) is 1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea is CCc1ccc(NC(=O)Nc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea?
The InChIKey is UJZDIKVQFMCLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-12-7-9-13(10-8-12)19-17(21)20-16-11-18-15-6-4-3-5-14(15)16/h3-11,18H,2H2,1H3,(H2,19,20,21).
What are the key properties of 1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea?
1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea has a molecular weight of 279.34 g/mol, XLogP of 4.37, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea is sourced from PubChem (CID 7616033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).