1-cyclohexyl-3-(1H-indol-4-yl)urea

C15H19N3O — CID 110748828

IUPAC1-cyclohexyl-3-(1H-indol-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ccc12)NC1CCCCC1
InChIInChI=1S/C15H19N3O/c19-15(17-11-5-2-1-3-6-11)18-14-8-4-7-13-12(14)9-10-16-13/h4,7-11,16H,1-3,5-6H2,(H2,17,18,19)
InChIKeyQKLNTADBFBCOBJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.62
Rot. Bonds2

About 1-cyclohexyl-3-(1H-indol-4-yl)urea

1-cyclohexyl-3-(1H-indol-4-yl)urea (PubChem CID 110748828) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1H-indol-4-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1H-indol-4-yl)urea
PubChem CID110748828
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-cyclohexyl-3-(1H-indol-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ccc12)NC1CCCCC1
InChIInChI=1S/C15H19N3O/c19-15(17-11-5-2-1-3-6-11)18-14-8-4-7-13-12(14)9-10-16-13/h4,7-11,16H,1-3,5-6H2,(H2,17,18,19)
InChIKeyQKLNTADBFBCOBJ-UHFFFAOYSA-N
XLogP3.62
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopentyl-1H-indole-4-carboxamide
CID 43582325
N-[2-(cyclohexylcarbamoylamino)phenyl]acetamide
CID 113093681
1-(3-chloro-2-methoxyphenyl)-3-cyclohexylurea
CID 5148075
1-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1H-indol-4-yl)urea
CID 96508407
1-(2-bromophenyl)-3-cyclododecylurea
CID 108868750
1-(2-bromophenyl)-3-cycloheptylurea
CID 3671520
cis-(1S,2R)-N-(1H-indol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95767235
N-(1H-indol-4-yl)-2-oxo-2-piperidin-1-ylacetamide
CID 45493554
1-cyclopropyl-1-(2,2-difluoroethyl)-3-(1H-indol-4-yl)urea
CID 71854684
1-cyclohexyl-3-(3,4-dihydro-2H-chromen-8-yl)urea
CID 110874634
fluoro N-(1H-indol-4-yl)carbamate
CID 174803649
N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1H-indol-4-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(1H-indol-4-yl)urea (CID 110748828) is 1-cyclohexyl-3-(1H-indol-4-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(1H-indol-4-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(1H-indol-4-yl)urea is O=C(Nc1cccc2[nH]ccc12)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(1H-indol-4-yl)urea?
The InChIKey is QKLNTADBFBCOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-15(17-11-5-2-1-3-6-11)18-14-8-4-7-13-12(14)9-10-16-13/h4,7-11,16H,1-3,5-6H2,(H2,17,18,19).
What are the key properties of 1-cyclohexyl-3-(1H-indol-4-yl)urea?
1-cyclohexyl-3-(1H-indol-4-yl)urea has a molecular weight of 257.34 g/mol, XLogP of 3.62, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1H-indol-4-yl)urea is sourced from PubChem (CID 110748828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).