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

C19H18N2O4 — CID 100772639

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)-N-methylpropanamide
SMILESCOc1cccc(N(C)C(=O)CCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H18N2O4/c1-20(13-6-5-7-14(12-13)25-2)17(22)10-11-21-18(23)15-8-3-4-9-16(15)19(21)24/h3-9,12H,10-11H2,1-2H3
InChIKeyJFZXDTBAMYFRIR-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.34
Rot. Bonds5

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

3-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)-N-methylpropanamide (PubChem CID 100772639) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)-N-methylpropanamide
PubChem CID100772639
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)-N-methylpropanamide
SMILESCOc1cccc(N(C)C(=O)CCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H18N2O4/c1-20(13-6-5-7-14(12-13)25-2)17(22)10-11-21-18(23)15-8-3-4-9-16(15)19(21)24/h3-9,12H,10-11H2,1-2H3
InChIKeyJFZXDTBAMYFRIR-UHFFFAOYSA-N
XLogP2.34
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione
CID 131850985
3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-N-methylpropanamide
CID 94626265
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155126
2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 108534205
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899
N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 55385096
3-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methoxyphenyl)benzamide
CID 2342210
2-(2-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylacetamide
CID 80740880
5-methoxy-2-(3-oxobutyl)isoindole-1,3-dione
CID 117031904
3-(5-methoxy-1,3-dioxoisoindol-2-yl)propanoic acid
CID 117031888
2-[8-(3-methoxyphenoxy)octyl]isoindole-1,3-dione
CID 90319094

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)-N-methylpropanamide (CID 100772639) is 3-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)-N-methylpropanamide is COc1cccc(N(C)C(=O)CCN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)-N-methylpropanamide?
The InChIKey is JFZXDTBAMYFRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-20(13-6-5-7-14(12-13)25-2)17(22)10-11-21-18(23)15-8-3-4-9-16(15)19(21)24/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)-N-methylpropanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)-N-methylpropanamide has a molecular weight of 338.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 100772639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).