N-(4-ethylphenyl)-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide

C19H20N2O2 — CID 20906009

IUPACN-(4-ethylphenyl)-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide
SMILESCCc1ccc(N(C)C(=O)CN2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C19H20N2O2/c1-3-14-8-10-16(11-9-14)20(2)18(22)13-21-12-15-6-4-5-7-17(15)19(21)23/h4-11H,3,12-13H2,1-2H3
InChIKeySRNCGMOBSUUZAQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.87
Rot. Bonds4

About N-(4-ethylphenyl)-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide

N-(4-ethylphenyl)-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide (PubChem CID 20906009) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide
PubChem CID20906009
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-(4-ethylphenyl)-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide
SMILESCCc1ccc(N(C)C(=O)CN2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C19H20N2O2/c1-3-14-8-10-16(11-9-14)20(2)18(22)13-21-12-15-6-4-5-7-17(15)19(21)23/h4-11H,3,12-13H2,1-2H3
InChIKeySRNCGMOBSUUZAQ-UHFFFAOYSA-N
XLogP2.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The IUPAC name of N-(4-ethylphenyl)-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide (CID 20906009) is N-(4-ethylphenyl)-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide is CCc1ccc(N(C)C(=O)CN2Cc3ccccc3C2=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The InChIKey is SRNCGMOBSUUZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-14-8-10-16(11-9-14)20(2)18(22)13-21-12-15-6-4-5-7-17(15)19(21)23/h4-11H,3,12-13H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide?
N-(4-ethylphenyl)-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide has a molecular weight of 308.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide is sourced from PubChem (CID 20906009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).