1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea

C16H23N3O2 — CID 111474945

IUPAC1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)Nc1ccc2ccn(CC)c2c1
InChIInChI=1S/C16H23N3O2/c1-3-13(8-10-20)17-16(21)18-14-6-5-12-7-9-19(4-2)15(12)11-14/h5-7,9,11,13,20H,3-4,8,10H2,1-2H3,(H2,17,18,21)
InChIKeyZVYMYAYEBWBLQV-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.94
Rot. Bonds6

About 1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea

1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea (PubChem CID 111474945) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea.

Molecular Properties

Compound Name1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea
PubChem CID111474945
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)Nc1ccc2ccn(CC)c2c1
InChIInChI=1S/C16H23N3O2/c1-3-13(8-10-20)17-16(21)18-14-6-5-12-7-9-19(4-2)15(12)11-14/h5-7,9,11,13,20H,3-4,8,10H2,1-2H3,(H2,17,18,21)
InChIKeyZVYMYAYEBWBLQV-UHFFFAOYSA-N
XLogP2.94
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea
CID 111474973
1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452689
1-(1-ethylindol-6-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 86816676
1-(1-ethylindol-6-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 111446739
N-(1-ethylindol-6-yl)pyrrolidine-1-carboxamide
CID 71874521
1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452541
1-(1-ethylindol-6-yl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 111474953
1-(1-hydroxypentan-3-yl)-3-[4-(methylsulfanylmethyl)phenyl]urea
CID 111453411
1-(3-benzoylphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111453499
1-(3-chloro-4-propan-2-yloxyphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452995
N'-(1-hydroxypentan-3-yl)-N-naphthalen-2-yloxamide
CID 111799046
1-(4-cyclopentyloxy-3-fluorophenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111475511

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea?
The IUPAC name of 1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea (CID 111474945) is 1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea.
What is the SMILES notation for 1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea?
The canonical SMILES for 1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea is CCC(CCO)NC(=O)Nc1ccc2ccn(CC)c2c1.
What is the InChIKey of 1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea?
The InChIKey is ZVYMYAYEBWBLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-13(8-10-20)17-16(21)18-14-6-5-12-7-9-19(4-2)15(12)11-14/h5-7,9,11,13,20H,3-4,8,10H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea?
1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea has a molecular weight of 289.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea is sourced from PubChem (CID 111474945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).