N-ethyl-N-naphthalen-1-yl-1-oxo-3,4-dihydroisochromene-3-carboxamide

C22H19NO3 — CID 55614745

IUPACN-ethyl-N-naphthalen-1-yl-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCCN(C(=O)C1Cc2ccccc2C(=O)O1)c1cccc2ccccc12
InChIInChI=1S/C22H19NO3/c1-2-23(19-13-7-10-15-8-3-5-11-17(15)19)21(24)20-14-16-9-4-6-12-18(16)22(25)26-20/h3-13,20H,2,14H2,1H3
InChIKeyJIKCRPPINXBOJN-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.97
Rot. Bonds3

About N-ethyl-N-naphthalen-1-yl-1-oxo-3,4-dihydroisochromene-3-carboxamide

N-ethyl-N-naphthalen-1-yl-1-oxo-3,4-dihydroisochromene-3-carboxamide (PubChem CID 55614745) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-ethyl-N-naphthalen-1-yl-1-oxo-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-naphthalen-1-yl-1-oxo-3,4-dihydroisochromene-3-carboxamide
PubChem CID55614745
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC NameN-ethyl-N-naphthalen-1-yl-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCCN(C(=O)C1Cc2ccccc2C(=O)O1)c1cccc2ccccc12
InChIInChI=1S/C22H19NO3/c1-2-23(19-13-7-10-15-8-3-5-11-17(15)19)21(24)20-14-16-9-4-6-12-18(16)22(25)26-20/h3-13,20H,2,14H2,1H3
InChIKeyJIKCRPPINXBOJN-UHFFFAOYSA-N
XLogP3.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Methyl(phenyl)amino]-2-oxoethyl 2-methylbenzoate
CID 2336314
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2481637
2-(4-acetylphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide
CID 2543985
[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
CID 4034846
1-oxo-N-phenyl-3,4-dihydro-1H-isochromene-3-carboxamide
CID 4906278
N-(2,5-dimethylphenyl)-1-oxo-4-phenyl-1H-isochromene-3-carboxamide
CID 12005347
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(dimethylamino)benzoate
CID 2370487
[2-Oxo-2-(2-phenylanilino)ethyl] 3-(dimethylamino)benzoate
CID 2413255
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(methylamino)benzoate
CID 2436784
Phenacyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 2706274
N-(2-methylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 2953184
(2-Morpholin-4-yl-2-oxoethyl) 2-(2,3-dimethylanilino)benzoate
CID 2998397

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-naphthalen-1-yl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of N-ethyl-N-naphthalen-1-yl-1-oxo-3,4-dihydroisochromene-3-carboxamide (CID 55614745) is N-ethyl-N-naphthalen-1-yl-1-oxo-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for N-ethyl-N-naphthalen-1-yl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for N-ethyl-N-naphthalen-1-yl-1-oxo-3,4-dihydroisochromene-3-carboxamide is CCN(C(=O)C1Cc2ccccc2C(=O)O1)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-N-naphthalen-1-yl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is JIKCRPPINXBOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-2-23(19-13-7-10-15-8-3-5-11-17(15)19)21(24)20-14-16-9-4-6-12-18(16)22(25)26-20/h3-13,20H,2,14H2,1H3.
What are the key properties of N-ethyl-N-naphthalen-1-yl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
N-ethyl-N-naphthalen-1-yl-1-oxo-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-naphthalen-1-yl-1-oxo-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 55614745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).