N-(2-methoxyethyl)-1-oxo-4-phenylisochromene-3-carboxamide

C19H17NO4 — CID 126480017

IUPACN-(2-methoxyethyl)-1-oxo-4-phenylisochromene-3-carboxamide
SMILESCOCCNC(=O)c1oc(=O)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C19H17NO4/c1-23-12-11-20-18(21)17-16(13-7-3-2-4-8-13)14-9-5-6-10-15(14)19(22)24-17/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyWNSFCVCXGLQGIQ-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.84
Rot. Bonds5

About N-(2-methoxyethyl)-1-oxo-4-phenylisochromene-3-carboxamide

N-(2-methoxyethyl)-1-oxo-4-phenylisochromene-3-carboxamide (PubChem CID 126480017) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-oxo-4-phenylisochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-oxo-4-phenylisochromene-3-carboxamide
PubChem CID126480017
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC NameN-(2-methoxyethyl)-1-oxo-4-phenylisochromene-3-carboxamide
SMILESCOCCNC(=O)c1oc(=O)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C19H17NO4/c1-23-12-11-20-18(21)17-16(13-7-3-2-4-8-13)14-9-5-6-10-15(14)19(22)24-17/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyWNSFCVCXGLQGIQ-UHFFFAOYSA-N
XLogP2.84
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-oxo-4-phenylisochromene-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-oxo-4-phenylisochromene-3-carboxamide (CID 126480017) is N-(2-methoxyethyl)-1-oxo-4-phenylisochromene-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-oxo-4-phenylisochromene-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-oxo-4-phenylisochromene-3-carboxamide is COCCNC(=O)c1oc(=O)c2ccccc2c1-c1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-1-oxo-4-phenylisochromene-3-carboxamide?
The InChIKey is WNSFCVCXGLQGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-23-12-11-20-18(21)17-16(13-7-3-2-4-8-13)14-9-5-6-10-15(14)19(22)24-17/h2-10H,11-12H2,1H3,(H,20,21).
What are the key properties of N-(2-methoxyethyl)-1-oxo-4-phenylisochromene-3-carboxamide?
N-(2-methoxyethyl)-1-oxo-4-phenylisochromene-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-oxo-4-phenylisochromene-3-carboxamide is sourced from PubChem (CID 126480017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).