2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)-N-(4-methoxyphenyl)propanamide

C26H23N3O5 — CID 57291085

IUPAC2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1
InChIInChI=1S/C26H23N3O5/c1-17(24(31)27-18-12-14-20(34-2)15-13-18)29(19-8-4-3-5-9-19)23(30)16-28-25(32)21-10-6-7-11-22(21)26(28)33/h3-15,17H,16H2,1-2H3,(H,27,31)
InChIKeyNWYOGYGFQKNNFM-UHFFFAOYSA-N
MW457.49 g/mol
LogP3.35
Rot. Bonds7

About 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)-N-(4-methoxyphenyl)propanamide

2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)-N-(4-methoxyphenyl)propanamide (PubChem CID 57291085) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)-N-(4-methoxyphenyl)propanamide
PubChem CID57291085
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC Name2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1
InChIInChI=1S/C26H23N3O5/c1-17(24(31)27-18-12-14-20(34-2)15-13-18)29(19-8-4-3-5-9-19)23(30)16-28-25(32)21-10-6-7-11-22(21)26(28)33/h3-15,17H,16H2,1-2H3,(H,27,31)
InChIKeyNWYOGYGFQKNNFM-UHFFFAOYSA-N
XLogP3.35
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide
CID 57298805
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 4249582
N-(2,5-difluorophenyl)-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide
CID 57163180
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 3803407
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 55497072
2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 101357423
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 42922369
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(4-methoxyphenyl)urea
CID 19259064
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
(2R)-2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide
CID 2721651
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)-2-(thiadiazol-4-yl)acetamide
CID 3281425
3-[[1-(4-methoxyanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride
CID 119911900

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)-N-(4-methoxyphenyl)propanamide (CID 57291085) is 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1.
What is the InChIKey of 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)-N-(4-methoxyphenyl)propanamide?
The InChIKey is NWYOGYGFQKNNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c1-17(24(31)27-18-12-14-20(34-2)15-13-18)29(19-8-4-3-5-9-19)23(30)16-28-25(32)21-10-6-7-11-22(21)26(28)33/h3-15,17H,16H2,1-2H3,(H,27,31).
What are the key properties of 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)-N-(4-methoxyphenyl)propanamide?
2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)-N-(4-methoxyphenyl)propanamide has a molecular weight of 457.49 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 57291085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).