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

C24H24N2O2 — CID 162663317

IUPAC[3-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cccc(CNCCO)c1)N1CCc2c(-c3ccccc3)cccc21
InChIInChI=1S/C24H24N2O2/c27-15-13-25-17-18-6-4-9-20(16-18)24(28)26-14-12-22-21(10-5-11-23(22)26)19-7-2-1-3-8-19/h1-11,16,25,27H,12-15,17H2
InChIKeyWAJAMGACJSOSTD-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.64
Rot. Bonds6

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

[3-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 162663317) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is [3-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[3-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
PubChem CID162663317
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name[3-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cccc(CNCCO)c1)N1CCc2c(-c3ccccc3)cccc21
InChIInChI=1S/C24H24N2O2/c27-15-13-25-17-18-6-4-9-20(16-18)24(28)26-14-12-22-21(10-5-11-23(22)26)19-7-2-1-3-8-19/h1-11,16,25,27H,12-15,17H2
InChIKeyWAJAMGACJSOSTD-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

Benzazepinelidene acetamide derivative, 1e
CID 44520850
3-(4-Dimethylaminonaphthalen-1-ylmethylene)-1,3-dihydroindol-2-one
CID 24906291
3-(4-Dimethylamino-naphthalen-1-ylmethylene)-1,3-dihydro-indol-2-one
CID 9839842
Benzazepinelidene acetamide derivative, 1g
CID 44520852
1-(3-methylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329880
1-(4-methylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329887
3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]urea
CID 5329888
1-(3-ethylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329891
1-(3,4-dimethylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329895
1-(3,5-dimethylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329896
3-2,3-dihydro-1H-inden-5-yl-1-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329897
3-[3-fluoro-4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]-1-(3-methylphenyl)urea
CID 5329899

Frequently Asked Questions

What is the IUPAC name of [3-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [3-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone (CID 162663317) is [3-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [3-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [3-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone is O=C(c1cccc(CNCCO)c1)N1CCc2c(-c3ccccc3)cccc21.
What is the InChIKey of [3-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is WAJAMGACJSOSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-15-13-25-17-18-6-4-9-20(16-18)24(28)26-14-12-22-21(10-5-11-23(22)26)19-7-2-1-3-8-19/h1-11,16,25,27H,12-15,17H2.
What are the key properties of [3-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
[3-[(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 [3-[(2-hydroxyethylamino)methyl]phenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 162663317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).