N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide

C20H19N3O5 — CID 48502422

IUPACN-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1
InChIInChI=1S/C20H19N3O5/c1-23-19(26)15-8-5-13(9-16(15)20(23)27)18(25)22-11-17(24)21-10-12-3-6-14(28-2)7-4-12/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyAEUDJKRIGKDBSP-UHFFFAOYSA-N
MW381.39 g/mol
LogP0.97
Rot. Bonds6

About N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide

N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 48502422) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID48502422
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC NameN-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1
InChIInChI=1S/C20H19N3O5/c1-23-19(26)15-8-5-13(9-16(15)20(23)27)18(25)22-11-17(24)21-10-12-3-6-14(28-2)7-4-12/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyAEUDJKRIGKDBSP-UHFFFAOYSA-N
XLogP0.97
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 50.97
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

N-[(4-methoxyphenyl)methyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 7772278
N-[(4-carbamoylphenyl)methyl]-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108766212
N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 25497365
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55858752
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 37216605
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7959601
4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide
CID 55840954
2-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 55586968
2-tert-butyl-N-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108538828
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 52764158
2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-(3-pyrrolidin-1-ylpropyl)isoindole-5-carboxamide
CID 69276968
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate
CID 2642645

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide (CID 48502422) is N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide is COc1ccc(CNC(=O)CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is AEUDJKRIGKDBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-23-19(26)15-8-5-13(9-16(15)20(23)27)18(25)22-11-17(24)21-10-12-3-6-14(28-2)7-4-12/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 48502422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).