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

C19H18N2O4 — CID 699193

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H18N2O4/c1-25-14-8-6-13(7-9-14)10-11-20-17(22)12-21-18(23)15-4-2-3-5-16(15)19(21)24/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyLMDHGSMPAGLBKZ-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.65
Rot. Bonds6

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

2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 699193) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID699193
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H18N2O4/c1-25-14-8-6-13(7-9-14)10-11-20-17(22)12-21-18(23)15-4-2-3-5-16(15)19(21)24/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyLMDHGSMPAGLBKZ-UHFFFAOYSA-N
XLogP1.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.65
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

2-(2,4-dioxo-5-propan-2-ylidene-1,3-thiazolidin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 18808977
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110688801
2-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 39071753
2-(6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 78149648
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110686711
N-[2-(4-methoxyphenyl)ethyl]-2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
CID 52905272
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylbutanamide
CID 981255
4-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108538869
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 8507184
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 113201305
2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502774
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 52900581

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 699193) is 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is LMDHGSMPAGLBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-25-14-8-6-13(7-9-14)10-11-20-17(22)12-21-18(23)15-4-2-3-5-16(15)19(21)24/h2-9H,10-12H2,1H3,(H,20,22).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 338.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 699193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).