2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide

C18H16N2O4 — CID 2787226

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H16N2O4/c1-11(16(21)19-14-9-5-6-10-15(14)24-2)20-17(22)12-7-3-4-8-13(12)18(20)23/h3-11H,1-2H3,(H,19,21)
InChIKeyXJWGCRYYCNWWIT-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.32
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide

2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide (PubChem CID 2787226) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
PubChem CID2787226
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H16N2O4/c1-11(16(21)19-14-9-5-6-10-15(14)24-2)20-17(22)12-7-3-4-8-13(12)18(20)23/h3-11H,1-2H3,(H,19,21)
InChIKeyXJWGCRYYCNWWIT-UHFFFAOYSA-N
XLogP2.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 51140735
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)-4-methylpentanamide
CID 8714159
2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 108767409
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7788336
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107
N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3109173
N-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 4836454
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)-4-methylsulfanylbutanamide
CID 2599495
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 3803407
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 1112277
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide
CID 738623
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide
CID 679819

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide (CID 2787226) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)C(C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide?
The InChIKey is XJWGCRYYCNWWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11(16(21)19-14-9-5-6-10-15(14)24-2)20-17(22)12-7-3-4-8-13(12)18(20)23/h3-11H,1-2H3,(H,19,21).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide has a molecular weight of 324.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 2787226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).