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

C21H22N2O4 — CID 1293729

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
SMILESCOc1ccc(CCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H22N2O4/c1-27-16-10-8-15(9-11-16)12-13-22-19(24)7-4-14-23-20(25)17-5-2-3-6-18(17)21(23)26/h2-3,5-6,8-11H,4,7,12-14H2,1H3,(H,22,24)
InChIKeyXACGYGLIPYTZCR-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.43
Rot. Bonds8

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

4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide (PubChem CID 1293729) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
PubChem CID1293729
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
SMILESCOc1ccc(CCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H22N2O4/c1-27-16-10-8-15(9-11-16)12-13-22-19(24)7-4-14-23-20(25)17-5-2-3-6-18(17)21(23)26/h2-3,5-6,8-11H,4,7,12-14H2,1H3,(H,22,24)
InChIKeyXACGYGLIPYTZCR-UHFFFAOYSA-N
XLogP2.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.43
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-[2-(4-methoxyphenyl)ethyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide (CID 1293729) is 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide is COc1ccc(CCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide?
The InChIKey is XACGYGLIPYTZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-27-16-10-8-15(9-11-16)12-13-22-19(24)7-4-14-23-20(25)17-5-2-3-6-18(17)21(23)26/h2-3,5-6,8-11H,4,7,12-14H2,1H3,(H,22,24).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]butanamide has a molecular weight of 366.42 g/mol, XLogP of 2.43, 8 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-[2-(4-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 1293729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).