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

C20H20N2O4 — CID 1308990

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCOc1ccc(CNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H20N2O4/c1-26-15-10-8-14(9-11-15)13-21-18(23)7-4-12-22-19(24)16-5-2-3-6-17(16)20(22)25/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,21,23)
InChIKeyGDNNZVMTFXHROC-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.39
Rot. Bonds7

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

4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]butanamide (PubChem CID 1308990) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]butanamide
PubChem CID1308990
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCOc1ccc(CNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H20N2O4/c1-26-15-10-8-14(9-11-15)13-21-18(23)7-4-12-22-19(24)16-5-2-3-6-17(16)20(22)25/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,21,23)
InChIKeyGDNNZVMTFXHROC-UHFFFAOYSA-N
XLogP2.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]butanamide (CID 1308990) is 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]butanamide is COc1ccc(CNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]butanamide?
The InChIKey is GDNNZVMTFXHROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-26-15-10-8-14(9-11-15)13-21-18(23)7-4-12-22-19(24)16-5-2-3-6-17(16)20(22)25/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,21,23).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]butanamide has a molecular weight of 352.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 1308990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).