N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide

C22H23N3O5 — CID 108537858

IUPACN-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H23N3O5/c1-30-16-10-8-15(9-11-16)20(27)24-13-12-23-19(26)7-4-14-25-21(28)17-5-2-3-6-18(17)22(25)29/h2-3,5-6,8-11H,4,7,12-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyXLKXGORUZAFIJW-UHFFFAOYSA-N
MW409.44 g/mol
LogP1.62
Rot. Bonds9

About N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide

N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide (PubChem CID 108537858) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide
PubChem CID108537858
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H23N3O5/c1-30-16-10-8-15(9-11-16)20(27)24-13-12-23-19(26)7-4-14-25-21(28)17-5-2-3-6-18(17)22(25)29/h2-3,5-6,8-11H,4,7,12-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyXLKXGORUZAFIJW-UHFFFAOYSA-N
XLogP1.62
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108538869
4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methoxypropanoylamino)ethyl]butanamide
CID 108542668
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]pyridine-4-carboxamide
CID 108542672
4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide
CID 19174379
N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110756142
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3-fluorobenzamide
CID 108542677
4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide
CID 55879575
N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide
CID 108570637
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide
CID 108574012
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-(methylamino)butanamide
CID 119783914
N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-2,6-dimethoxybenzamide
CID 108538742
N-[2-(2-chloropropanoylamino)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108574020

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide (CID 108537858) is N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide?
The InChIKey is XLKXGORUZAFIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-30-16-10-8-15(9-11-16)20(27)24-13-12-23-19(26)7-4-14-25-21(28)17-5-2-3-6-18(17)22(25)29/h2-3,5-6,8-11H,4,7,12-14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide?
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide has a molecular weight of 409.44 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 108537858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).