1,1-diethyl-3-(2-indol-1-ylethyl)urea

C15H21N3O — CID 108726423

IUPAC1,1-diethyl-3-(2-indol-1-ylethyl)urea
SMILESCCN(CC)C(=O)NCCn1ccc2ccccc21
InChIInChI=1S/C15H21N3O/c1-3-17(4-2)15(19)16-10-12-18-11-9-13-7-5-6-8-14(13)18/h5-9,11H,3-4,10,12H2,1-2H3,(H,16,19)
InChIKeyYFQGSTLEBHQHAW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.69
Rot. Bonds5

About 1,1-diethyl-3-(2-indol-1-ylethyl)urea

1,1-diethyl-3-(2-indol-1-ylethyl)urea (PubChem CID 108726423) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1,1-diethyl-3-(2-indol-1-ylethyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(2-indol-1-ylethyl)urea
PubChem CID108726423
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1,1-diethyl-3-(2-indol-1-ylethyl)urea
SMILESCCN(CC)C(=O)NCCn1ccc2ccccc21
InChIInChI=1S/C15H21N3O/c1-3-17(4-2)15(19)16-10-12-18-11-9-13-7-5-6-8-14(13)18/h5-9,11H,3-4,10,12H2,1-2H3,(H,16,19)
InChIKeyYFQGSTLEBHQHAW-UHFFFAOYSA-N
XLogP2.69
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(diethylamino)ethyl]-3-indol-1-ylpropanamide
CID 84556794
(E)-N-(2-indol-1-ylethyl)but-2-enamide
CID 108750473
2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide
CID 108750477
N-(2-indol-1-ylethyl)-2,6-dimethoxybenzamide
CID 110732644
1-benzyl-3-(2-indol-1-ylethyl)urea
CID 110748972
1-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]-3-(3-indol-1-ylpropyl)urea
CID 52710608
N-(2-indol-1-ylethyl)-4-phenylbenzamide
CID 4251768
N-(2-indol-1-ylethyl)-2-iodobenzamide
CID 3247556
2-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)acetamide
CID 5244033
N-(2-indol-1-ylethyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 71705958
1,1-diethyl-3-(2-pyrrol-1-ylethyl)urea
CID 103731722
2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide
CID 110732646

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(2-indol-1-ylethyl)urea?
The IUPAC name of 1,1-diethyl-3-(2-indol-1-ylethyl)urea (CID 108726423) is 1,1-diethyl-3-(2-indol-1-ylethyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(2-indol-1-ylethyl)urea?
The canonical SMILES for 1,1-diethyl-3-(2-indol-1-ylethyl)urea is CCN(CC)C(=O)NCCn1ccc2ccccc21.
What is the InChIKey of 1,1-diethyl-3-(2-indol-1-ylethyl)urea?
The InChIKey is YFQGSTLEBHQHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-17(4-2)15(19)16-10-12-18-11-9-13-7-5-6-8-14(13)18/h5-9,11H,3-4,10,12H2,1-2H3,(H,16,19).
What are the key properties of 1,1-diethyl-3-(2-indol-1-ylethyl)urea?
1,1-diethyl-3-(2-indol-1-ylethyl)urea has a molecular weight of 259.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(2-indol-1-ylethyl)urea is sourced from PubChem (CID 108726423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).