N,3-dimethyl-1-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4H-isochromene-3-carboxamide

C23H26N2O4 — CID 43024604

IUPACN,3-dimethyl-1-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4H-isochromene-3-carboxamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)C2(C)Cc3ccccc3C(=O)O2)c(C)c1
InChIInChI=1S/C23H26N2O4/c1-14-10-15(2)20(16(3)11-14)24-19(26)13-25(5)22(28)23(4)12-17-8-6-7-9-18(17)21(27)29-23/h6-11H,12-13H2,1-5H3,(H,24,26)
InChIKeyVIJPCVDHPVAUEY-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.18
Rot. Bonds4

About N,3-dimethyl-1-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4H-isochromene-3-carboxamide

N,3-dimethyl-1-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4H-isochromene-3-carboxamide (PubChem CID 43024604) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N,3-dimethyl-1-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4H-isochromene-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-1-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4H-isochromene-3-carboxamide
PubChem CID43024604
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN,3-dimethyl-1-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4H-isochromene-3-carboxamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)C2(C)Cc3ccccc3C(=O)O2)c(C)c1
InChIInChI=1S/C23H26N2O4/c1-14-10-15(2)20(16(3)11-14)24-19(26)13-25(5)22(28)23(4)12-17-8-6-7-9-18(17)21(27)29-23/h6-11H,12-13H2,1-5H3,(H,24,26)
InChIKeyVIJPCVDHPVAUEY-UHFFFAOYSA-N
XLogP3.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,3-dimethyl-1-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4H-isochromene-3-carboxamide with MolForge

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Related Compounds

(3R)-N-(2,5-dimethylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 938867
2-(3,3-dimethyl-4H-isoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 6937620
(3R)-N-[(3-chlorophenyl)methyl]-N,3-dimethyl-1-oxo-4H-isochromene-3-carboxamide
CID 95273884
1-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide
CID 119291391
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
N,3-dimethyl-1-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-4H-isochromene-3-carboxamide
CID 56777821
1-(4-tert-butylphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide
CID 39094433
2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108628
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 119291379
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 55358713
4-(methoxymethyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
CID 120622838

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4H-isochromene-3-carboxamide?
The IUPAC name of N,3-dimethyl-1-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4H-isochromene-3-carboxamide (CID 43024604) is N,3-dimethyl-1-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4H-isochromene-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-1-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4H-isochromene-3-carboxamide?
The canonical SMILES for N,3-dimethyl-1-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4H-isochromene-3-carboxamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)C2(C)Cc3ccccc3C(=O)O2)c(C)c1.
What is the InChIKey of N,3-dimethyl-1-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4H-isochromene-3-carboxamide?
The InChIKey is VIJPCVDHPVAUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-14-10-15(2)20(16(3)11-14)24-19(26)13-25(5)22(28)23(4)12-17-8-6-7-9-18(17)21(27)29-23/h6-11H,12-13H2,1-5H3,(H,24,26).
What are the key properties of N,3-dimethyl-1-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4H-isochromene-3-carboxamide?
N,3-dimethyl-1-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4H-isochromene-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4H-isochromene-3-carboxamide is sourced from PubChem (CID 43024604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).