N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide

C18H16N2O4 — CID 168516635

IUPACN-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide
SMILESCCC(=O)Nc1ccc(OC)cc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H16N2O4/c1-3-16(21)19-14-9-8-11(24-2)10-15(14)20-17(22)12-6-4-5-7-13(12)18(20)23/h4-10H,3H2,1-2H3,(H,19,21)
InChIKeyLOHOCWDYZZJNQW-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.84
Rot. Bonds4

About N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide

N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide (PubChem CID 168516635) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide
PubChem CID168516635
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide
SMILESCCC(=O)Nc1ccc(OC)cc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H16N2O4/c1-3-16(21)19-14-9-8-11(24-2)10-15(14)20-17(22)12-6-4-5-7-13(12)18(20)23/h4-10H,3H2,1-2H3,(H,19,21)
InChIKeyLOHOCWDYZZJNQW-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
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

N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]acetamide
CID 10335547
N-[2-(1,3-dioxoisoindol-2-yl)-5-methoxyphenyl]-2-methylpropanamide
CID 168516679
N-(2-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110777932
2-[2-(methylamino)-5-phenoxyphenyl]isoindole-1,3-dione
CID 21037106
[1-[5-methoxy-2-(propanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675257
N-(2,4-dimethoxyphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16591872
2-[5-methoxy-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]isoindole-1,3-dione
CID 177450628
N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxobenzo[f]isoindol-2-yl)phenyl]-4-methoxybenzamide
CID 18174557
N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]butanamide
CID 918540
4-methoxy-2-(propanoylamino)benzenesulfonic acid
CID 174562955
2-(1,3-dioxoisoindol-2-yl)-4-(4-methoxyphenyl)benzoic acid
CID 168518194
N-[2-(1,3-dioxoisoindol-2-yl)-4-methylphenyl]-2-methylpropanamide
CID 168516887

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide?
The IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide (CID 168516635) is N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide.
What is the SMILES notation for N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide?
The canonical SMILES for N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide is CCC(=O)Nc1ccc(OC)cc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide?
The InChIKey is LOHOCWDYZZJNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-3-16(21)19-14-9-8-11(24-2)10-15(14)20-17(22)12-6-4-5-7-13(12)18(20)23/h4-10H,3H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide?
N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide has a molecular weight of 324.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide is sourced from PubChem (CID 168516635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).