[4-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone

C24H24N2O2 — CID 162662184

IUPAC[4-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(CNCCO)cc1)N1CCc2c(-c3ccccc3)cccc21
InChIInChI=1S/C24H24N2O2/c27-16-14-25-17-18-9-11-20(12-10-18)24(28)26-15-13-22-21(7-4-8-23(22)26)19-5-2-1-3-6-19/h1-12,25,27H,13-17H2
InChIKeyKEIMLINZFMFZFB-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.64
Rot. Bonds6

About [4-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone

[4-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 162662184) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is [4-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
PubChem CID162662184
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name[4-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(CNCCO)cc1)N1CCc2c(-c3ccccc3)cccc21
InChIInChI=1S/C24H24N2O2/c27-16-14-25-17-18-9-11-20(12-10-18)24(28)26-15-13-22-21(7-4-8-23(22)26)19-5-2-1-3-6-19/h1-12,25,27H,13-17H2
InChIKeyKEIMLINZFMFZFB-UHFFFAOYSA-N
XLogP3.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-methylphenyl)propanamide
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CID 11392596
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CID 44250342
3-benzamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 155664130
4-(1,3-dioxoisoindol-2-yl)-N-phenylbutanamide
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Frequently Asked Questions

What is the IUPAC name of [4-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone (CID 162662184) is [4-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone is O=C(c1ccc(CNCCO)cc1)N1CCc2c(-c3ccccc3)cccc21.
What is the InChIKey of [4-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is KEIMLINZFMFZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-16-14-25-17-18-9-11-20(12-10-18)24(28)26-15-13-22-21(7-4-8-23(22)26)19-5-2-1-3-6-19/h1-12,25,27H,13-17H2.
What are the key properties of [4-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
[4-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 372.47 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 162662184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).