2,3-dihydroindol-1-yl-[2-(2,3-dihydroxypropylamino)phenyl]methanone

C18H20N2O3 — CID 168597159

IUPAC2,3-dihydroindol-1-yl-[2-(2,3-dihydroxypropylamino)phenyl]methanone
SMILESO=C(c1ccccc1NCC(O)CO)N1CCc2ccccc21
InChIInChI=1S/C18H20N2O3/c21-12-14(22)11-19-16-7-3-2-6-15(16)18(23)20-10-9-13-5-1-4-8-17(13)20/h1-8,14,19,21-22H,9-12H2
InChIKeyOKNUVQWOWNOIHM-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.65
Rot. Bonds5

About 2,3-dihydroindol-1-yl-[2-(2,3-dihydroxypropylamino)phenyl]methanone

2,3-dihydroindol-1-yl-[2-(2,3-dihydroxypropylamino)phenyl]methanone (PubChem CID 168597159) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-(2,3-dihydroxypropylamino)phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-(2,3-dihydroxypropylamino)phenyl]methanone
PubChem CID168597159
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2,3-dihydroindol-1-yl-[2-(2,3-dihydroxypropylamino)phenyl]methanone
SMILESO=C(c1ccccc1NCC(O)CO)N1CCc2ccccc21
InChIInChI=1S/C18H20N2O3/c21-12-14(22)11-19-16-7-3-2-6-15(16)18(23)20-10-9-13-5-1-4-8-17(13)20/h1-8,14,19,21-22H,9-12H2
InChIKeyOKNUVQWOWNOIHM-UHFFFAOYSA-N
XLogP1.65
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone
CID 63107611
3-[2-(2,3-dihydroindole-1-carbonyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168560311
2,3-dihydroindol-1-yl-(2-pyrrolidin-1-ylphenyl)methanone
CID 168513032
N-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2335196
2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547315
2,3-dihydroindol-1-yl-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-pyridinyl]methanone
CID 133342903
2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone
CID 122502753
1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone
CID 168593573
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109034767
2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone
CID 109203131
(2-amino-3-fluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 55099809
(2R)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 90682463

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-(2,3-dihydroxypropylamino)phenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-(2,3-dihydroxypropylamino)phenyl]methanone (CID 168597159) is 2,3-dihydroindol-1-yl-[2-(2,3-dihydroxypropylamino)phenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-(2,3-dihydroxypropylamino)phenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-(2,3-dihydroxypropylamino)phenyl]methanone is O=C(c1ccccc1NCC(O)CO)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-(2,3-dihydroxypropylamino)phenyl]methanone?
The InChIKey is OKNUVQWOWNOIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-12-14(22)11-19-16-7-3-2-6-15(16)18(23)20-10-9-13-5-1-4-8-17(13)20/h1-8,14,19,21-22H,9-12H2.
What are the key properties of 2,3-dihydroindol-1-yl-[2-(2,3-dihydroxypropylamino)phenyl]methanone?
2,3-dihydroindol-1-yl-[2-(2,3-dihydroxypropylamino)phenyl]methanone has a molecular weight of 312.37 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-(2,3-dihydroxypropylamino)phenyl]methanone is sourced from PubChem (CID 168597159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).