N-(furan-2-ylmethyl)-3-methyl-1-oxo-N-phenyl-4H-isochromene-3-carboxamide

C22H19NO4 — CID 55448018

IUPACN-(furan-2-ylmethyl)-3-methyl-1-oxo-N-phenyl-4H-isochromene-3-carboxamide
SMILESCC1(C(=O)N(Cc2ccco2)c2ccccc2)Cc2ccccc2C(=O)O1
InChIInChI=1S/C22H19NO4/c1-22(14-16-8-5-6-12-19(16)20(24)27-22)21(25)23(15-18-11-7-13-26-18)17-9-3-2-4-10-17/h2-13H,14-15H2,1H3
InChIKeyGDSBONPSOHLBCU-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.98
Rot. Bonds4

About N-(furan-2-ylmethyl)-3-methyl-1-oxo-N-phenyl-4H-isochromene-3-carboxamide

N-(furan-2-ylmethyl)-3-methyl-1-oxo-N-phenyl-4H-isochromene-3-carboxamide (PubChem CID 55448018) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-methyl-1-oxo-N-phenyl-4H-isochromene-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-methyl-1-oxo-N-phenyl-4H-isochromene-3-carboxamide
PubChem CID55448018
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC NameN-(furan-2-ylmethyl)-3-methyl-1-oxo-N-phenyl-4H-isochromene-3-carboxamide
SMILESCC1(C(=O)N(Cc2ccco2)c2ccccc2)Cc2ccccc2C(=O)O1
InChIInChI=1S/C22H19NO4/c1-22(14-16-8-5-6-12-19(16)20(24)27-22)21(25)23(15-18-11-7-13-26-18)17-9-3-2-4-10-17/h2-13H,14-15H2,1H3
InChIKeyGDSBONPSOHLBCU-UHFFFAOYSA-N
XLogP3.98
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-methyl-1-oxo-N-phenyl-4H-isochromene-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-methyl-1-oxo-N-phenyl-4H-isochromene-3-carboxamide (CID 55448018) is N-(furan-2-ylmethyl)-3-methyl-1-oxo-N-phenyl-4H-isochromene-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-methyl-1-oxo-N-phenyl-4H-isochromene-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-methyl-1-oxo-N-phenyl-4H-isochromene-3-carboxamide is CC1(C(=O)N(Cc2ccco2)c2ccccc2)Cc2ccccc2C(=O)O1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-methyl-1-oxo-N-phenyl-4H-isochromene-3-carboxamide?
The InChIKey is GDSBONPSOHLBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-22(14-16-8-5-6-12-19(16)20(24)27-22)21(25)23(15-18-11-7-13-26-18)17-9-3-2-4-10-17/h2-13H,14-15H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-3-methyl-1-oxo-N-phenyl-4H-isochromene-3-carboxamide?
N-(furan-2-ylmethyl)-3-methyl-1-oxo-N-phenyl-4H-isochromene-3-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-methyl-1-oxo-N-phenyl-4H-isochromene-3-carboxamide is sourced from PubChem (CID 55448018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).