N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-phenoxybenzamide

C24H24N2O3 — CID 90582283

IUPACN-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-phenoxybenzamide
SMILESCN1CCc2cc(C(O)CNC(=O)c3ccccc3Oc3ccccc3)ccc21
InChIInChI=1S/C24H24N2O3/c1-26-14-13-17-15-18(11-12-21(17)26)22(27)16-25-24(28)20-9-5-6-10-23(20)29-19-7-3-2-4-8-19/h2-12,15,22,27H,13-14,16H2,1H3,(H,25,28)
InChIKeyLDHXXNOJGPQFBT-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.93
Rot. Bonds6

About N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-phenoxybenzamide

N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-phenoxybenzamide (PubChem CID 90582283) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-phenoxybenzamide
PubChem CID90582283
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-phenoxybenzamide
SMILESCN1CCc2cc(C(O)CNC(=O)c3ccccc3Oc3ccccc3)ccc21
InChIInChI=1S/C24H24N2O3/c1-26-14-13-17-15-18(11-12-21(17)26)22(27)16-25-24(28)20-9-5-6-10-23(20)29-19-7-3-2-4-8-19/h2-12,15,22,27H,13-14,16H2,1H3,(H,25,28)
InChIKeyLDHXXNOJGPQFBT-UHFFFAOYSA-N
XLogP3.93
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,4-dimethoxybenzamide
CID 90582226
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 90582281
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-phenylpropanamide
CID 90582153
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-phenylbutanamide
CID 119099576
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylpropanamide
CID 90582111
N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 129373691
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 90582177
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 90582117
N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 129373617
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-3-carboxamide
CID 90582320
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 90582269
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 90582229

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-phenoxybenzamide?
The IUPAC name of N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-phenoxybenzamide (CID 90582283) is N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-phenoxybenzamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-phenoxybenzamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-phenoxybenzamide is CN1CCc2cc(C(O)CNC(=O)c3ccccc3Oc3ccccc3)ccc21.
What is the InChIKey of N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-phenoxybenzamide?
The InChIKey is LDHXXNOJGPQFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-26-14-13-17-15-18(11-12-21(17)26)22(27)16-25-24(28)20-9-5-6-10-23(20)29-19-7-3-2-4-8-19/h2-12,15,22,27H,13-14,16H2,1H3,(H,25,28).
What are the key properties of N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-phenoxybenzamide?
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-phenoxybenzamide has a molecular weight of 388.47 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-phenoxybenzamide is sourced from PubChem (CID 90582283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).