(3R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide

C25H21NO4 — CID 41194480

IUPAC(3R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
SMILESO=C(N[C@@H]1CCOc2ccccc21)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O
InChIInChI=1S/C25H21NO4/c27-24(26-21-12-13-29-22-9-5-4-8-20(21)22)17-10-11-19-18(14-17)15-23(30-25(19)28)16-6-2-1-3-7-16/h1-11,14,21,23H,12-13,15H2,(H,26,27)/t21-,23-/m1/s1
InChIKeyWESVZBAUMKGRRC-FYYLOGMGSA-N
MW399.45 g/mol
LogP4.39
Rot. Bonds3

About (3R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide

(3R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide (PubChem CID 41194480) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is (3R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
PubChem CID41194480
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC Name(3R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
SMILESO=C(N[C@@H]1CCOc2ccccc21)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O
InChIInChI=1S/C25H21NO4/c27-24(26-21-12-13-29-22-9-5-4-8-20(21)22)17-10-11-19-18(14-17)15-23(30-25(19)28)16-6-2-1-3-7-16/h1-11,14,21,23H,12-13,15H2,(H,26,27)/t21-,23-/m1/s1
InChIKeyWESVZBAUMKGRRC-FYYLOGMGSA-N
XLogP4.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 94016891
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
CID 43709554
N-ethoxy-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 18169127
(3S)-N-(4-chlorophenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 7274281
N-cyclopentyl-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 43845126
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
CID 9091658
4-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzamide
CID 115769510
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
1-oxo-3-phenyl-N-(4-sulfamoylphenyl)-3,4-dihydroisochromene-6-carboxamide
CID 4974011

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide?
The IUPAC name of (3R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide (CID 41194480) is (3R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide.
What is the SMILES notation for (3R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide?
The canonical SMILES for (3R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide is O=C(N[C@@H]1CCOc2ccccc21)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O.
What is the InChIKey of (3R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide?
The InChIKey is WESVZBAUMKGRRC-FYYLOGMGSA-N. The full InChI is InChI=1S/C25H21NO4/c27-24(26-21-12-13-29-22-9-5-4-8-20(21)22)17-10-11-19-18(14-17)15-23(30-25(19)28)16-6-2-1-3-7-16/h1-11,14,21,23H,12-13,15H2,(H,26,27)/t21-,23-/m1/s1.
What are the key properties of (3R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide?
(3R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide is sourced from PubChem (CID 41194480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).