N-[(4-methoxyphenyl)methyl]-1-oxoisochromene-4-carboxamide

C18H15NO4 — CID 4179797

IUPACN-[(4-methoxyphenyl)methyl]-1-oxoisochromene-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2coc(=O)c3ccccc23)cc1
InChIInChI=1S/C18H15NO4/c1-22-13-8-6-12(7-9-13)10-19-17(20)16-11-23-18(21)15-5-3-2-4-14(15)16/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyRXVGPGQHWCHCSO-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.73
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-1-oxoisochromene-4-carboxamide

N-[(4-methoxyphenyl)methyl]-1-oxoisochromene-4-carboxamide (PubChem CID 4179797) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-oxoisochromene-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-oxoisochromene-4-carboxamide
PubChem CID4179797
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-oxoisochromene-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2coc(=O)c3ccccc23)cc1
InChIInChI=1S/C18H15NO4/c1-22-13-8-6-12(7-9-13)10-19-17(20)16-11-23-18(21)15-5-3-2-4-14(15)16/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyRXVGPGQHWCHCSO-UHFFFAOYSA-N
XLogP2.73
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methoxyphenyl)methyl]-1-oxoisochromene-4-carboxamide 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-[(4-methoxyphenyl)methyl]-1-oxoisochromene-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-oxoisochromene-4-carboxamide (CID 4179797) is N-[(4-methoxyphenyl)methyl]-1-oxoisochromene-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-oxoisochromene-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-oxoisochromene-4-carboxamide is COc1ccc(CNC(=O)c2coc(=O)c3ccccc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-oxoisochromene-4-carboxamide?
The InChIKey is RXVGPGQHWCHCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-22-13-8-6-12(7-9-13)10-19-17(20)16-11-23-18(21)15-5-3-2-4-14(15)16/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-oxoisochromene-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-oxoisochromene-4-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-oxoisochromene-4-carboxamide is sourced from PubChem (CID 4179797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).