6-ethyl-N-(4-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide

C20H21NO4 — CID 4906092

IUPAC6-ethyl-N-(4-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCCc1ccc2c(c1)CC(C)(C(=O)Nc1ccc(OC)cc1)OC2=O
InChIInChI=1S/C20H21NO4/c1-4-13-5-10-17-14(11-13)12-20(2,25-18(17)22)19(23)21-15-6-8-16(24-3)9-7-15/h5-11H,4,12H2,1-3H3,(H,21,23)
InChIKeyBZYCKJQXLSJFOA-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.37
Rot. Bonds4

About 6-ethyl-N-(4-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide

6-ethyl-N-(4-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide (PubChem CID 4906092) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 6-ethyl-N-(4-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-(4-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
PubChem CID4906092
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name6-ethyl-N-(4-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCCc1ccc2c(c1)CC(C)(C(=O)Nc1ccc(OC)cc1)OC2=O
InChIInChI=1S/C20H21NO4/c1-4-13-5-10-17-14(11-13)12-20(2,25-18(17)22)19(23)21-15-6-8-16(24-3)9-7-15/h5-11H,4,12H2,1-3H3,(H,21,23)
InChIKeyBZYCKJQXLSJFOA-UHFFFAOYSA-N
XLogP3.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-3-methyl-1-oxo-N-(4-sulfamoylphenyl)-4H-isochromene-3-carboxamide
CID 4908995
N-(3-methoxyphenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide
CID 4902255
3-methyl-N-naphthalen-2-yl-1-oxo-4H-isochromene-3-carboxamide
CID 3922014
(3R)-N-(4-ethoxy-3-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 41046982
N-(3,5-dimethylphenyl)-3,6-dimethyl-1-oxo-4H-isochromene-3-carboxamide
CID 4911830
N-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide
CID 87336938
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 55715250
(3R)-N-(4-bromophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 1096273
methyl 3-[[(3R)-3-methyl-1-oxo-4H-isochromene-3-carbonyl]amino]benzoate
CID 41048388
N-(4-acetylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 4903202
(3S)-N-(4-tert-butylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 8569512
3-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-oxo-4H-isochromene-3-carboxamide
CID 134039899

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(4-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The IUPAC name of 6-ethyl-N-(4-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide (CID 4906092) is 6-ethyl-N-(4-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide.
What is the SMILES notation for 6-ethyl-N-(4-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The canonical SMILES for 6-ethyl-N-(4-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide is CCc1ccc2c(c1)CC(C)(C(=O)Nc1ccc(OC)cc1)OC2=O.
What is the InChIKey of 6-ethyl-N-(4-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The InChIKey is BZYCKJQXLSJFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-4-13-5-10-17-14(11-13)12-20(2,25-18(17)22)19(23)21-15-6-8-16(24-3)9-7-15/h5-11H,4,12H2,1-3H3,(H,21,23).
What are the key properties of 6-ethyl-N-(4-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
6-ethyl-N-(4-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(4-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide is sourced from PubChem (CID 4906092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).