1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea

C17H23N3O — CID 16813050

IUPAC1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea
SMILESCN(C(=O)Nc1cn(C)c2ccccc12)C1CCCCC1
InChIInChI=1S/C17H23N3O/c1-19-12-15(14-10-6-7-11-16(14)19)18-17(21)20(2)13-8-4-3-5-9-13/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,18,21)
InChIKeyAJTOLQKMAJMVPU-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.97
Rot. Bonds2

About 1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea

1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea (PubChem CID 16813050) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea
PubChem CID16813050
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea
SMILESCN(C(=O)Nc1cn(C)c2ccccc12)C1CCCCC1
InChIInChI=1S/C17H23N3O/c1-19-12-15(14-10-6-7-11-16(14)19)18-17(21)20(2)13-8-4-3-5-9-13/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,18,21)
InChIKeyAJTOLQKMAJMVPU-UHFFFAOYSA-N
XLogP3.97
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea?
The IUPAC name of 1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea (CID 16813050) is 1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea.
What is the SMILES notation for 1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea?
The canonical SMILES for 1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea is CN(C(=O)Nc1cn(C)c2ccccc12)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea?
The InChIKey is AJTOLQKMAJMVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-19-12-15(14-10-6-7-11-16(14)19)18-17(21)20(2)13-8-4-3-5-9-13/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,18,21).
What are the key properties of 1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea?
1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea has a molecular weight of 285.39 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea is sourced from PubChem (CID 16813050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).