3-[2-(2,3-dihydroindol-1-yl)phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea

C19H23N3O2 — CID 84597316

IUPAC3-[2-(2,3-dihydroindol-1-yl)phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea
SMILESCC(CO)N(C)C(=O)Nc1ccccc1N1CCc2ccccc21
InChIInChI=1S/C19H23N3O2/c1-14(13-23)21(2)19(24)20-16-8-4-6-10-18(16)22-12-11-15-7-3-5-9-17(15)22/h3-10,14,23H,11-13H2,1-2H3,(H,20,24)
InChIKeyJJJITPLLOIGVKF-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.23
Rot. Bonds4

About 3-[2-(2,3-dihydroindol-1-yl)phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea

3-[2-(2,3-dihydroindol-1-yl)phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea (PubChem CID 84597316) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[2-(2,3-dihydroindol-1-yl)phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea.

Molecular Properties

Compound Name3-[2-(2,3-dihydroindol-1-yl)phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea
PubChem CID84597316
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[2-(2,3-dihydroindol-1-yl)phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea
SMILESCC(CO)N(C)C(=O)Nc1ccccc1N1CCc2ccccc21
InChIInChI=1S/C19H23N3O2/c1-14(13-23)21(2)19(24)20-16-8-4-6-10-18(16)22-12-11-15-7-3-5-9-17(15)22/h3-10,14,23H,11-13H2,1-2H3,(H,20,24)
InChIKeyJJJITPLLOIGVKF-UHFFFAOYSA-N
XLogP3.23
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydroindol-1-yl)phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea?
The IUPAC name of 3-[2-(2,3-dihydroindol-1-yl)phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea (CID 84597316) is 3-[2-(2,3-dihydroindol-1-yl)phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea.
What is the SMILES notation for 3-[2-(2,3-dihydroindol-1-yl)phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea?
The canonical SMILES for 3-[2-(2,3-dihydroindol-1-yl)phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea is CC(CO)N(C)C(=O)Nc1ccccc1N1CCc2ccccc21.
What is the InChIKey of 3-[2-(2,3-dihydroindol-1-yl)phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea?
The InChIKey is JJJITPLLOIGVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14(13-23)21(2)19(24)20-16-8-4-6-10-18(16)22-12-11-15-7-3-5-9-17(15)22/h3-10,14,23H,11-13H2,1-2H3,(H,20,24).
What are the key properties of 3-[2-(2,3-dihydroindol-1-yl)phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea?
3-[2-(2,3-dihydroindol-1-yl)phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea has a molecular weight of 325.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydroindol-1-yl)phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea is sourced from PubChem (CID 84597316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).