N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide

C19H19NO4 — CID 2992348

IUPACN-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2(C)Cc3ccccc3C(=O)O2)cc1
InChIInChI=1S/C19H19NO4/c1-19(11-14-5-3-4-6-16(14)17(21)24-19)18(22)20-12-13-7-9-15(23-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyNJCXPGYIJZLFSU-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.48
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide

N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide (PubChem CID 2992348) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
PubChem CID2992348
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2(C)Cc3ccccc3C(=O)O2)cc1
InChIInChI=1S/C19H19NO4/c1-19(11-14-5-3-4-6-16(14)17(21)24-19)18(22)20-12-13-7-9-15(23-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyNJCXPGYIJZLFSU-UHFFFAOYSA-N
XLogP2.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isochromene-3-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-((4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)benzamide
CID 746156
2-((3-(Aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl)oxy)acetamide
CID 10271081
2-[[3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydro-6-isoquinolinyl]oxy]acetamide hydrochloride
CID 22175361
4-methoxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 137363359
4-methoxy-N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)benzamide
CID 739206
4-methoxy-N-(3-phenylpropyl)benzamide
CID 1744311
Acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester
CID 743751
2-fluorobenzyl N-(4-methoxybenzoyl)glycinate
CID 1242129
Methyl 4-[[2-[(4-methoxybenzoyl)amino]acetyl]oxymethyl]benzoate
CID 2383271
[2-(Benzylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523281
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methoxybenzamide
CID 2576233
N-(4-methoxybenzyl)-1-oxo-1H-isochromene-4-carboxamide
CID 4179797

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide (CID 2992348) is N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide is COc1ccc(CNC(=O)C2(C)Cc3ccccc3C(=O)O2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The InChIKey is NJCXPGYIJZLFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-19(11-14-5-3-4-6-16(14)17(21)24-19)18(22)20-12-13-7-9-15(23-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide has a molecular weight of 325.36 g/mol, XLogP of 2.48, 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]-3-methyl-1-oxo-4H-isochromene-3-carboxamide is sourced from PubChem (CID 2992348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).