3-(2,3-dihydro-1H-indol-5-yl)-1,1-diethylurea

C13H19N3O — CID 79161283

IUPAC3-(2,3-dihydro-1H-indol-5-yl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccc2c(c1)CCN2
InChIInChI=1S/C13H19N3O/c1-3-16(4-2)13(17)15-11-5-6-12-10(9-11)7-8-14-12/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,15,17)
InChIKeyJOSMYLBPWLJWSL-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.53
Rot. Bonds3

About 3-(2,3-dihydro-1H-indol-5-yl)-1,1-diethylurea

3-(2,3-dihydro-1H-indol-5-yl)-1,1-diethylurea (PubChem CID 79161283) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-5-yl)-1,1-diethylurea.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-5-yl)-1,1-diethylurea
PubChem CID79161283
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(2,3-dihydro-1H-indol-5-yl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccc2c(c1)CCN2
InChIInChI=1S/C13H19N3O/c1-3-16(4-2)13(17)15-11-5-6-12-10(9-11)7-8-14-12/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,15,17)
InChIKeyJOSMYLBPWLJWSL-UHFFFAOYSA-N
XLogP2.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-indol-5-yl)butanamide
CID 63253204
N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride
CID 119473829
2-acetamido-N-(2,3-dihydro-1H-indol-5-yl)acetamide
CID 63253037
N-(2,3-dihydro-1H-indol-5-yl)-1-methylcyclopropane-1-carboxamide
CID 119473770
3-(4-chlorophenyl)-1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-ethylurea
CID 70422123
N-(2,3-dihydro-1H-indol-5-yl)-2-phenylacetamide
CID 63252775
N-(2,3-dihydro-1H-indol-5-yl)-2-methoxypropanamide
CID 115736922
N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzamide
CID 63252782
N-(2,3-dihydro-1H-indol-5-yl)-3-methylsulfanylpropanamide;hydrochloride
CID 119473853
N-(2,3-dihydro-1H-indol-5-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810956
N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide
CID 63834008
N-(2,3-dihydro-1H-indol-5-yl)-3,4-diethoxybenzamide
CID 119473764

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-1,1-diethylurea?
The IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-1,1-diethylurea (CID 79161283) is 3-(2,3-dihydro-1H-indol-5-yl)-1,1-diethylurea.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-5-yl)-1,1-diethylurea?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-5-yl)-1,1-diethylurea is CCN(CC)C(=O)Nc1ccc2c(c1)CCN2.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-5-yl)-1,1-diethylurea?
The InChIKey is JOSMYLBPWLJWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-16(4-2)13(17)15-11-5-6-12-10(9-11)7-8-14-12/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,15,17).
What are the key properties of 3-(2,3-dihydro-1H-indol-5-yl)-1,1-diethylurea?
3-(2,3-dihydro-1H-indol-5-yl)-1,1-diethylurea has a molecular weight of 233.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-5-yl)-1,1-diethylurea is sourced from PubChem (CID 79161283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).