1-(4-ethoxyphenyl)-3-(1-ethylindol-3-yl)urea

C19H21N3O2 — CID 18582412

IUPAC1-(4-ethoxyphenyl)-3-(1-ethylindol-3-yl)urea
SMILESCCOc1ccc(NC(=O)Nc2cn(CC)c3ccccc23)cc1
InChIInChI=1S/C19H21N3O2/c1-3-22-13-17(16-7-5-6-8-18(16)22)21-19(23)20-14-9-11-15(12-10-14)24-4-2/h5-13H,3-4H2,1-2H3,(H2,20,21,23)
InChIKeyQFYJVRZQBCSWKI-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.70
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-(1-ethylindol-3-yl)urea

1-(4-ethoxyphenyl)-3-(1-ethylindol-3-yl)urea (PubChem CID 18582412) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(1-ethylindol-3-yl)urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(1-ethylindol-3-yl)urea
PubChem CID18582412
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-(4-ethoxyphenyl)-3-(1-ethylindol-3-yl)urea
SMILESCCOc1ccc(NC(=O)Nc2cn(CC)c3ccccc23)cc1
InChIInChI=1S/C19H21N3O2/c1-3-22-13-17(16-7-5-6-8-18(16)22)21-19(23)20-14-9-11-15(12-10-14)24-4-2/h5-13H,3-4H2,1-2H3,(H2,20,21,23)
InChIKeyQFYJVRZQBCSWKI-UHFFFAOYSA-N
XLogP4.70
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylphenyl)-3-(1-ethylindol-3-yl)urea
CID 40519720
ethyl 4-[[1-(2-methoxyethyl)indol-3-yl]carbamoylamino]benzoate
CID 40519874
1,1-diethyl-3-(1-ethylindol-3-yl)urea
CID 40519589
ethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate
CID 108874271
1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-ethoxyphenyl)urea
CID 970476
1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874290
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(1-ethylindol-3-yl)acetamide
CID 86898302
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
1-(4-butoxyphenyl)-3-naphthalen-1-ylurea
CID 4146159
1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860109
1-(1-ethylindol-3-yl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 18582399

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(1-ethylindol-3-yl)urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(1-ethylindol-3-yl)urea (CID 18582412) is 1-(4-ethoxyphenyl)-3-(1-ethylindol-3-yl)urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(1-ethylindol-3-yl)urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(1-ethylindol-3-yl)urea is CCOc1ccc(NC(=O)Nc2cn(CC)c3ccccc23)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(1-ethylindol-3-yl)urea?
The InChIKey is QFYJVRZQBCSWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-22-13-17(16-7-5-6-8-18(16)22)21-19(23)20-14-9-11-15(12-10-14)24-4-2/h5-13H,3-4H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(4-ethoxyphenyl)-3-(1-ethylindol-3-yl)urea?
1-(4-ethoxyphenyl)-3-(1-ethylindol-3-yl)urea has a molecular weight of 323.40 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(1-ethylindol-3-yl)urea is sourced from PubChem (CID 18582412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).