1-(2-ethylphenyl)-3-(1H-indol-6-yl)urea

C17H17N3O — CID 17181458

IUPAC1-(2-ethylphenyl)-3-(1H-indol-6-yl)urea
SMILESCCc1ccccc1NC(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C17H17N3O/c1-2-12-5-3-4-6-15(12)20-17(21)19-14-8-7-13-9-10-18-16(13)11-14/h3-11,18H,2H2,1H3,(H2,19,20,21)
InChIKeyPRLSIRSWTWMTQE-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.37
Rot. Bonds3

About 1-(2-ethylphenyl)-3-(1H-indol-6-yl)urea

1-(2-ethylphenyl)-3-(1H-indol-6-yl)urea (PubChem CID 17181458) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-(1H-indol-6-yl)urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-(1H-indol-6-yl)urea
PubChem CID17181458
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-(2-ethylphenyl)-3-(1H-indol-6-yl)urea
SMILESCCc1ccccc1NC(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C17H17N3O/c1-2-12-5-3-4-6-15(12)20-17(21)19-14-8-7-13-9-10-18-16(13)11-14/h3-11,18H,2H2,1H3,(H2,19,20,21)
InChIKeyPRLSIRSWTWMTQE-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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Related Compounds

1-(1H-indol-6-yl)-3-(4-octylphenyl)urea
CID 155412325
1-(1H-indol-6-yl)-3-pentylurea
CID 155412349
1-(2-fluorophenyl)-3-(1H-indol-5-yl)urea
CID 155412366
N-[2-(hydroxymethyl)phenyl]-1H-indole-6-carboxamide
CID 63748080
1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 108991353
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea
CID 56790026
1-(3-aminophenyl)-3-(2-ethylphenyl)urea
CID 30050716
N'-(2-ethylphenyl)-N-naphthalen-2-yloxamide
CID 108528326
1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991481
(Z)-3-amino-N-(1H-indol-6-ylcarbamoyl)prop-2-enamide
CID 155412139
1-(2-cyclopropylethyl)-3-(1H-indol-6-yl)urea
CID 155411868
1-(1H-indol-6-yl)-3-[(1R,2S)-2-phenylcyclopropyl]urea
CID 167419906

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-(1H-indol-6-yl)urea?
The IUPAC name of 1-(2-ethylphenyl)-3-(1H-indol-6-yl)urea (CID 17181458) is 1-(2-ethylphenyl)-3-(1H-indol-6-yl)urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-(1H-indol-6-yl)urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-(1H-indol-6-yl)urea is CCc1ccccc1NC(=O)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of 1-(2-ethylphenyl)-3-(1H-indol-6-yl)urea?
The InChIKey is PRLSIRSWTWMTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-12-5-3-4-6-15(12)20-17(21)19-14-8-7-13-9-10-18-16(13)11-14/h3-11,18H,2H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2-ethylphenyl)-3-(1H-indol-6-yl)urea?
1-(2-ethylphenyl)-3-(1H-indol-6-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-(2-ethylphenyl)-3-(1H-indol-6-yl)urea is sourced from PubChem (CID 17181458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).