N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylmethoxyacetamide

C19H21NO3 — CID 91631200

IUPACN-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)NCC1(O)Cc2ccccc2C1
InChIInChI=1S/C19H21NO3/c21-18(13-23-12-15-6-2-1-3-7-15)20-14-19(22)10-16-8-4-5-9-17(16)11-19/h1-9,22H,10-14H2,(H,20,21)
InChIKeyBZYPGTRAJPOVJR-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.85
Rot. Bonds6

About N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylmethoxyacetamide

N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylmethoxyacetamide (PubChem CID 91631200) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylmethoxyacetamide
PubChem CID91631200
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)NCC1(O)Cc2ccccc2C1
InChIInChI=1S/C19H21NO3/c21-18(13-23-12-15-6-2-1-3-7-15)20-14-19(22)10-16-8-4-5-9-17(16)11-19/h1-9,22H,10-14H2,(H,20,21)
InChIKeyBZYPGTRAJPOVJR-UHFFFAOYSA-N
XLogP1.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylmethoxyacetamide 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 N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylmethoxyacetamide (CID 91631200) is N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylmethoxyacetamide is O=C(COCc1ccccc1)NCC1(O)Cc2ccccc2C1.
What is the InChIKey of N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylmethoxyacetamide?
The InChIKey is BZYPGTRAJPOVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-18(13-23-12-15-6-2-1-3-7-15)20-14-19(22)10-16-8-4-5-9-17(16)11-19/h1-9,22H,10-14H2,(H,20,21).
What are the key properties of N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylmethoxyacetamide?
N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylmethoxyacetamide has a molecular weight of 311.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 91631200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).