N-[2-(1,3-dioxoisoindol-2-yl)-5-methoxyphenyl]-2-methylpropanamide

C19H18N2O4 — CID 168516679

IUPACN-[2-(1,3-dioxoisoindol-2-yl)-5-methoxyphenyl]-2-methylpropanamide
SMILESCOc1ccc(N2C(=O)c3ccccc3C2=O)c(NC(=O)C(C)C)c1
InChIInChI=1S/C19H18N2O4/c1-11(2)17(22)20-15-10-12(25-3)8-9-16(15)21-18(23)13-6-4-5-7-14(13)19(21)24/h4-11H,1-3H3,(H,20,22)
InChIKeyVYGLNJQZGPRAJT-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.09
Rot. Bonds4

About N-[2-(1,3-dioxoisoindol-2-yl)-5-methoxyphenyl]-2-methylpropanamide

N-[2-(1,3-dioxoisoindol-2-yl)-5-methoxyphenyl]-2-methylpropanamide (PubChem CID 168516679) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[2-(1,3-dioxoisoindol-2-yl)-5-methoxyphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxoisoindol-2-yl)-5-methoxyphenyl]-2-methylpropanamide
PubChem CID168516679
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[2-(1,3-dioxoisoindol-2-yl)-5-methoxyphenyl]-2-methylpropanamide
SMILESCOc1ccc(N2C(=O)c3ccccc3C2=O)c(NC(=O)C(C)C)c1
InChIInChI=1S/C19H18N2O4/c1-11(2)17(22)20-15-10-12(25-3)8-9-16(15)21-18(23)13-6-4-5-7-14(13)19(21)24/h4-11H,1-3H3,(H,20,22)
InChIKeyVYGLNJQZGPRAJT-UHFFFAOYSA-N
XLogP3.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.09
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)-4-methylphenyl]-2-methylpropanamide
CID 168516887
N-[2-(1,3-dioxoisoindol-2-yl)-4-methoxyphenyl]propanamide
CID 168516635
[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 31459467
(2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 7605329
2-(4-methoxy-2-nitrophenyl)isoindole-1,3-dione
CID 619974
2-[2-(4-chlorobenzoyl)-4-methoxyphenyl]isoindole-1,3-dione
CID 168519707
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 3803407
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide
CID 679819
2-(1,3-dioxoisoindol-2-yl)-4-(4-methoxyphenyl)benzoic acid
CID 168518194
2-[5-methoxy-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]isoindole-1,3-dione
CID 177450628
methyl 2-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]propanoate
CID 57029370

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)-5-methoxyphenyl]-2-methylpropanamide?
The IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)-5-methoxyphenyl]-2-methylpropanamide (CID 168516679) is N-[2-(1,3-dioxoisoindol-2-yl)-5-methoxyphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(1,3-dioxoisoindol-2-yl)-5-methoxyphenyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(1,3-dioxoisoindol-2-yl)-5-methoxyphenyl]-2-methylpropanamide is COc1ccc(N2C(=O)c3ccccc3C2=O)c(NC(=O)C(C)C)c1.
What is the InChIKey of N-[2-(1,3-dioxoisoindol-2-yl)-5-methoxyphenyl]-2-methylpropanamide?
The InChIKey is VYGLNJQZGPRAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11(2)17(22)20-15-10-12(25-3)8-9-16(15)21-18(23)13-6-4-5-7-14(13)19(21)24/h4-11H,1-3H3,(H,20,22).
What are the key properties of N-[2-(1,3-dioxoisoindol-2-yl)-5-methoxyphenyl]-2-methylpropanamide?
N-[2-(1,3-dioxoisoindol-2-yl)-5-methoxyphenyl]-2-methylpropanamide has a molecular weight of 338.36 g/mol, XLogP of 3.09, 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)-5-methoxyphenyl]-2-methylpropanamide is sourced from PubChem (CID 168516679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).