2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide

C23H26N3O5+ — CID 9125179

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
SMILESCOc1ccc([C@H](CNC(=O)CN2C(=O)c3ccccc3C2=O)[NH+]2CCOCC2)cc1
InChIInChI=1S/C23H25N3O5/c1-30-17-8-6-16(7-9-17)20(25-10-12-31-13-11-25)14-24-21(27)15-26-22(28)18-4-2-3-5-19(18)23(26)29/h2-9,20H,10-15H2,1H3,(H,24,27)/p+1/t20-/m0/s1
InChIKeyNZRMWNQVDINBOF-FQEVSTJZSA-O
MW424.48 g/mol
LogP0.06
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide (PubChem CID 9125179) has the molecular formula C23H26N3O5+ and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
PubChem CID9125179
Molecular FormulaC23H26N3O5+
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
SMILESCOc1ccc([C@H](CNC(=O)CN2C(=O)c3ccccc3C2=O)[NH+]2CCOCC2)cc1
InChIInChI=1S/C23H25N3O5/c1-30-17-8-6-16(7-9-17)20(25-10-12-31-13-11-25)14-24-21(27)15-26-22(28)18-4-2-3-5-19(18)23(26)29/h2-9,20H,10-15H2,1H3,(H,24,27)/p+1/t20-/m0/s1
InChIKeyNZRMWNQVDINBOF-FQEVSTJZSA-O
XLogP0.06
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide
CID 8798907
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]-4-methoxybenzamide
CID 7496626
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide
CID 9125353
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9460751
3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]propanamide
CID 8798719
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 7496961
N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 7594380
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 7594382
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]-2-(4-methylphenoxy)acetamide
CID 7496943
phenyl N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]carbamate
CID 7496993

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide (CID 9125179) is 2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide is COc1ccc([C@H](CNC(=O)CN2C(=O)c3ccccc3C2=O)[NH+]2CCOCC2)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide?
The InChIKey is NZRMWNQVDINBOF-FQEVSTJZSA-O. The full InChI is InChI=1S/C23H25N3O5/c1-30-17-8-6-16(7-9-17)20(25-10-12-31-13-11-25)14-24-21(27)15-26-22(28)18-4-2-3-5-19(18)23(26)29/h2-9,20H,10-15H2,1H3,(H,24,27)/p+1/t20-/m0/s1.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide has a molecular weight of 424.48 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide is sourced from PubChem (CID 9125179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).