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

C20H20N2O5 — CID 101357423

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-[1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)N(OC)C(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H20N2O5/c1-13(14-8-10-15(26-2)11-9-14)22(27-3)18(23)12-21-19(24)16-6-4-5-7-17(16)20(21)25/h4-11,13H,12H2,1-3H3
InChIKeyYFXPXSSEONBTIJ-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.44
Rot. Bonds6

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

2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-[1-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 101357423) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-[1-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-[1-(4-methoxyphenyl)ethyl]acetamide
PubChem CID101357423
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-[1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)N(OC)C(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H20N2O5/c1-13(14-8-10-15(26-2)11-9-14)22(27-3)18(23)12-21-19(24)16-6-4-5-7-17(16)20(21)25/h4-11,13H,12H2,1-3H3
InChIKeyYFXPXSSEONBTIJ-UHFFFAOYSA-N
XLogP2.44
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 42945913
2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)-N-(4-methoxyphenyl)propanamide
CID 57291085
(2S)-3-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)propanoic acid
CID 102005725
3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100772662
N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 8918958
3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxyphenyl)propanoic acid
CID 3121010
4-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide
CID 110291134
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 86924890
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 4249582
2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]isoindole-1,3-dione
CID 2880296
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
4-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide
CID 18200491

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-[1-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-[1-(4-methoxyphenyl)ethyl]acetamide (CID 101357423) is 2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-[1-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-[1-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-[1-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(C(C)N(OC)C(=O)CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-[1-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is YFXPXSSEONBTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-13(14-8-10-15(26-2)11-9-14)22(27-3)18(23)12-21-19(24)16-6-4-5-7-17(16)20(21)25/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-[1-(4-methoxyphenyl)ethyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-[1-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 368.39 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-[1-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 101357423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).