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

C26H23N3O5 — CID 108766212

IUPACN-[(4-carbamoylphenyl)methyl]-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1ccc(CCN2C(=O)c3ccc(C(=O)NCc4ccc(C(N)=O)cc4)cc3C2=O)cc1
InChIInChI=1S/C26H23N3O5/c1-34-20-9-4-16(5-10-20)12-13-29-25(32)21-11-8-19(14-22(21)26(29)33)24(31)28-15-17-2-6-18(7-3-17)23(27)30/h2-11,14H,12-13,15H2,1H3,(H2,27,30)(H,28,31)
InChIKeyCYRLWQYIEFYMMM-UHFFFAOYSA-N
MW457.49 g/mol
LogP2.56
Rot. Bonds8

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

N-[(4-carbamoylphenyl)methyl]-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 108766212) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-[(4-carbamoylphenyl)methyl]-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-carbamoylphenyl)methyl]-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID108766212
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC NameN-[(4-carbamoylphenyl)methyl]-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1ccc(CCN2C(=O)c3ccc(C(=O)NCc4ccc(C(N)=O)cc4)cc3C2=O)cc1
InChIInChI=1S/C26H23N3O5/c1-34-20-9-4-16(5-10-20)12-13-29-25(32)21-11-8-19(14-22(21)26(29)33)24(31)28-15-17-2-6-18(7-3-17)23(27)30/h2-11,14H,12-13,15H2,1H3,(H2,27,30)(H,28,31)
InChIKeyCYRLWQYIEFYMMM-UHFFFAOYSA-N
XLogP2.56
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.56
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-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 48502422
2-tert-butyl-N-[(4-carbamoylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 108766213
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7959601
N-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide
CID 3391897
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate
CID 2642645
2-butyl-N-[(4-chlorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 3380293
N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 26777955
[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl] 4-methoxybenzoate
CID 7212632
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 55866187
2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-(3-pyrrolidin-1-ylpropyl)isoindole-5-carboxamide
CID 69276968
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 17171662

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamoylphenyl)methyl]-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[(4-carbamoylphenyl)methyl]-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide (CID 108766212) is N-[(4-carbamoylphenyl)methyl]-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[(4-carbamoylphenyl)methyl]-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[(4-carbamoylphenyl)methyl]-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide is COc1ccc(CCN2C(=O)c3ccc(C(=O)NCc4ccc(C(N)=O)cc4)cc3C2=O)cc1.
What is the InChIKey of N-[(4-carbamoylphenyl)methyl]-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is CYRLWQYIEFYMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c1-34-20-9-4-16(5-10-20)12-13-29-25(32)21-11-8-19(14-22(21)26(29)33)24(31)28-15-17-2-6-18(7-3-17)23(27)30/h2-11,14H,12-13,15H2,1H3,(H2,27,30)(H,28,31).
What are the key properties of N-[(4-carbamoylphenyl)methyl]-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
N-[(4-carbamoylphenyl)methyl]-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamoylphenyl)methyl]-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 108766212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).