1,1-diethyl-3-(1-ethylindol-3-yl)urea

C15H21N3O — CID 40519589

IUPAC1,1-diethyl-3-(1-ethylindol-3-yl)urea
SMILESCCN(CC)C(=O)Nc1cn(CC)c2ccccc12
InChIInChI=1S/C15H21N3O/c1-4-17(5-2)15(19)16-13-11-18(6-3)14-10-8-7-9-12(13)14/h7-11H,4-6H2,1-3H3,(H,16,19)
InChIKeySBYAANGSQTYMPE-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.53
Rot. Bonds4

About 1,1-diethyl-3-(1-ethylindol-3-yl)urea

1,1-diethyl-3-(1-ethylindol-3-yl)urea (PubChem CID 40519589) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1,1-diethyl-3-(1-ethylindol-3-yl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(1-ethylindol-3-yl)urea
PubChem CID40519589
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1,1-diethyl-3-(1-ethylindol-3-yl)urea
SMILESCCN(CC)C(=O)Nc1cn(CC)c2ccccc12
InChIInChI=1S/C15H21N3O/c1-4-17(5-2)15(19)16-13-11-18(6-3)14-10-8-7-9-12(13)14/h7-11H,4-6H2,1-3H3,(H,16,19)
InChIKeySBYAANGSQTYMPE-UHFFFAOYSA-N
XLogP3.53
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-ethylindol-3-yl)-1,1-bis(2-methylpropyl)urea
CID 40519593
1-(2,3-dimethylphenyl)-3-(1-ethylindol-3-yl)urea
CID 40519720
1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea
CID 40519863
3-(1-methylindol-3-yl)-1,1-dipropylurea
CID 40519468
N-(1-ethylindol-3-yl)-2,6-dimethylmorpholine-4-carboxamide
CID 18582367
1-benzyl-1-butyl-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519751
1-(4-ethoxyphenyl)-3-(1-ethylindol-3-yl)urea
CID 18582412
1-(1-ethylindol-3-yl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 18582399
(2S)-N-(1-ethylindol-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 40519696
acetic acid;1-ethylindol-3-ol
CID 71405602
N-[bis(diethylamino)phosphoryl]-1-ethylindole-3-carboxamide
CID 3468790
1,1-diethyl-3-(2-propylphenyl)urea
CID 113233204

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(1-ethylindol-3-yl)urea?
The IUPAC name of 1,1-diethyl-3-(1-ethylindol-3-yl)urea (CID 40519589) is 1,1-diethyl-3-(1-ethylindol-3-yl)urea.
What is the SMILES notation for 1,1-diethyl-3-(1-ethylindol-3-yl)urea?
The canonical SMILES for 1,1-diethyl-3-(1-ethylindol-3-yl)urea is CCN(CC)C(=O)Nc1cn(CC)c2ccccc12.
What is the InChIKey of 1,1-diethyl-3-(1-ethylindol-3-yl)urea?
The InChIKey is SBYAANGSQTYMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-17(5-2)15(19)16-13-11-18(6-3)14-10-8-7-9-12(13)14/h7-11H,4-6H2,1-3H3,(H,16,19).
What are the key properties of 1,1-diethyl-3-(1-ethylindol-3-yl)urea?
1,1-diethyl-3-(1-ethylindol-3-yl)urea has a molecular weight of 259.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(1-ethylindol-3-yl)urea is sourced from PubChem (CID 40519589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).