N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide

C21H22N2O4 — CID 51175223

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C1Cc2ccccc2C(=O)O1
InChIInChI=1S/C21H22N2O4/c1-3-14-8-5-7-11-17(14)22-19(24)13-23(2)20(25)18-12-15-9-4-6-10-16(15)21(26)27-18/h4-11,18H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyFWYPDGOECHBXDU-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.43
Rot. Bonds5

About N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide (PubChem CID 51175223) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
PubChem CID51175223
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C1Cc2ccccc2C(=O)O1
InChIInChI=1S/C21H22N2O4/c1-3-14-8-5-7-11-17(14)22-19(24)13-23(2)20(25)18-12-15-9-4-6-10-16(15)21(26)27-18/h4-11,18H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyFWYPDGOECHBXDU-UHFFFAOYSA-N
XLogP2.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51175347
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyloxane-4-carboxamide
CID 51189142
2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 78773366
(2S)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 95345101
2-cyclopentyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 51146982
N-ethyl-N-naphthalen-1-yl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 55614745
(2R,3S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918817
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 43020017
tert-butyl 4-[[2-(2-ethylanilino)-2-oxoethyl]-methylcarbamoyl]piperidine-1-carboxylate
CID 9378593
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55429401
N-(2-fluorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4901890
1-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydroisochromene-3-carboxamide
CID 5111630

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide (CID 51175223) is N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide is CCc1ccccc1NC(=O)CN(C)C(=O)C1Cc2ccccc2C(=O)O1.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is FWYPDGOECHBXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-14-8-5-7-11-17(14)22-19(24)13-23(2)20(25)18-12-15-9-4-6-10-16(15)21(26)27-18/h4-11,18H,3,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 51175223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).