N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(4-phenylphenyl)acetamide

C25H26N2O2 — CID 90582281

IUPACN-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(4-phenylphenyl)acetamide
SMILESCN1CCc2cc(C(O)CNC(=O)Cc3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C25H26N2O2/c1-27-14-13-21-16-22(11-12-23(21)27)24(28)17-26-25(29)15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-12,16,24,28H,13-15,17H2,1H3,(H,26,29)
InChIKeyDXJGUJMNADGWEK-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.74
Rot. Bonds6

About N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(4-phenylphenyl)acetamide

N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 90582281) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(4-phenylphenyl)acetamide
PubChem CID90582281
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(4-phenylphenyl)acetamide
SMILESCN1CCc2cc(C(O)CNC(=O)Cc3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C25H26N2O2/c1-27-14-13-21-16-22(11-12-23(21)27)24(28)17-26-25(29)15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-12,16,24,28H,13-15,17H2,1H3,(H,26,29)
InChIKeyDXJGUJMNADGWEK-UHFFFAOYSA-N
XLogP3.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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]-3-phenylpropanamide
CID 90582153
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 90582278
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylpropanamide
CID 90582111
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 90582123
3-(2-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propanamide
CID 129373702
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-phenylacetamide
CID 110483038
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-phenylbutanamide
CID 119099576
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide
CID 90580796
2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide
CID 90582324
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]-3-(4-methoxyphenyl)propanamide
CID 90582216
3-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propanamide
CID 129373696

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(4-phenylphenyl)acetamide (CID 90582281) is N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(4-phenylphenyl)acetamide is CN1CCc2cc(C(O)CNC(=O)Cc3ccc(-c4ccccc4)cc3)ccc21.
What is the InChIKey of N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is DXJGUJMNADGWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-27-14-13-21-16-22(11-12-23(21)27)24(28)17-26-25(29)15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-12,16,24,28H,13-15,17H2,1H3,(H,26,29).
What are the key properties of N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(4-phenylphenyl)acetamide?
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 386.50 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 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-(4-phenylphenyl)acetamide is sourced from PubChem (CID 90582281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).