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

C25H26N2O3 — CID 162650815

IUPAC[4-[(2-hydroxyethylamino)methyl]-3-methoxyphenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCc3c(-c4ccccc4)cccc32)ccc1CNCCO
InChIInChI=1S/C25H26N2O3/c1-30-24-16-19(10-11-20(24)17-26-13-15-28)25(29)27-14-12-22-21(8-5-9-23(22)27)18-6-3-2-4-7-18/h2-11,16,26,28H,12-15,17H2,1H3
InChIKeySBBYNJFHJDJZJK-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.65
Rot. Bonds7

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

[4-[(2-hydroxyethylamino)methyl]-3-methoxyphenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 162650815) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is [4-[(2-hydroxyethylamino)methyl]-3-methoxyphenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-[(2-hydroxyethylamino)methyl]-3-methoxyphenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
PubChem CID162650815
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name[4-[(2-hydroxyethylamino)methyl]-3-methoxyphenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCc3c(-c4ccccc4)cccc32)ccc1CNCCO
InChIInChI=1S/C25H26N2O3/c1-30-24-16-19(10-11-20(24)17-26-13-15-28)25(29)27-14-12-22-21(8-5-9-23(22)27)18-6-3-2-4-7-18/h2-11,16,26,28H,12-15,17H2,1H3
InChIKeySBBYNJFHJDJZJK-UHFFFAOYSA-N
XLogP3.65
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(2-hydroxyethylamino)methyl]-3-methoxyphenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-[(2-hydroxyethylamino)methyl]-3-methoxyphenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone (CID 162650815) is [4-[(2-hydroxyethylamino)methyl]-3-methoxyphenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-[(2-hydroxyethylamino)methyl]-3-methoxyphenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-[(2-hydroxyethylamino)methyl]-3-methoxyphenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone is COc1cc(C(=O)N2CCc3c(-c4ccccc4)cccc32)ccc1CNCCO.
What is the InChIKey of [4-[(2-hydroxyethylamino)methyl]-3-methoxyphenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is SBBYNJFHJDJZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-30-24-16-19(10-11-20(24)17-26-13-15-28)25(29)27-14-12-22-21(8-5-9-23(22)27)18-6-3-2-4-7-18/h2-11,16,26,28H,12-15,17H2,1H3.
What are the key properties of [4-[(2-hydroxyethylamino)methyl]-3-methoxyphenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
[4-[(2-hydroxyethylamino)methyl]-3-methoxyphenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 402.49 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-hydroxyethylamino)methyl]-3-methoxyphenyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 162650815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).