N-(2-ethoxyphenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide

C21H23NO4 — CID 4912041

IUPACN-(2-ethoxyphenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1Cc2cc(C(C)C)ccc2C(=O)O1
InChIInChI=1S/C21H23NO4/c1-4-25-18-8-6-5-7-17(18)22-20(23)19-12-15-11-14(13(2)3)9-10-16(15)21(24)26-19/h5-11,13,19H,4,12H2,1-3H3,(H,22,23)
InChIKeyMAPSHMRHSOIULC-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.93
Rot. Bonds5

About N-(2-ethoxyphenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide

N-(2-ethoxyphenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide (PubChem CID 4912041) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide
PubChem CID4912041
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC NameN-(2-ethoxyphenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1Cc2cc(C(C)C)ccc2C(=O)O1
InChIInChI=1S/C21H23NO4/c1-4-25-18-8-6-5-7-17(18)22-20(23)19-12-15-11-14(13(2)3)9-10-16(15)21(24)26-19/h5-11,13,19H,4,12H2,1-3H3,(H,22,23)
InChIKeyMAPSHMRHSOIULC-UHFFFAOYSA-N
XLogP3.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide
CID 4910611
(3S)-N-(2-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 753364
(3R)-N-(2-ethoxyphenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 7463702
N-(4-ethoxyphenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4911042
[2-(2-ethoxyanilino)-2-oxoethyl] 1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxylate
CID 43027151
1-N,3-N-bis(2-ethoxyphenyl)-4-hydroxy-4-methyl-6-oxo-2-(4-propan-2-ylphenyl)cyclohexane-1,3-dicarboxamide
CID 19233396
(3S)-N-(4-ethoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 2146555
N-(2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17392144
dimethyl 2-[[(3R)-6-chloro-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]benzene-1,4-dicarboxylate
CID 41092225
N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 723516
2-N-cyclopentyl-1-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132110
N-(2-tert-butylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 43024444

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide (CID 4912041) is N-(2-ethoxyphenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide is CCOc1ccccc1NC(=O)C1Cc2cc(C(C)C)ccc2C(=O)O1.
What is the InChIKey of N-(2-ethoxyphenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is MAPSHMRHSOIULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-4-25-18-8-6-5-7-17(18)22-20(23)19-12-15-11-14(13(2)3)9-10-16(15)21(24)26-19/h5-11,13,19H,4,12H2,1-3H3,(H,22,23).
What are the key properties of N-(2-ethoxyphenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide?
N-(2-ethoxyphenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 4912041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).