4-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide

C23H26N2O4 — CID 18200491

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide
SMILESCOc1ccc(C(NC(=O)CCCN2C(=O)c3ccccc3C2=O)C(C)C)cc1
InChIInChI=1S/C23H26N2O4/c1-15(2)21(16-10-12-17(29-3)13-11-16)24-20(26)9-6-14-25-22(27)18-7-4-5-8-19(18)23(25)28/h4-5,7-8,10-13,15,21H,6,9,14H2,1-3H3,(H,24,26)
InChIKeyPUJFYRLDMFQCKW-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.58
Rot. Bonds8

About 4-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide

4-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide (PubChem CID 18200491) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide
PubChem CID18200491
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide
SMILESCOc1ccc(C(NC(=O)CCCN2C(=O)c3ccccc3C2=O)C(C)C)cc1
InChIInChI=1S/C23H26N2O4/c1-15(2)21(16-10-12-17(29-3)13-11-16)24-20(26)9-6-14-25-22(27)18-7-4-5-8-19(18)23(25)28/h4-5,7-8,10-13,15,21H,6,9,14H2,1-3H3,(H,24,26)
InChIKeyPUJFYRLDMFQCKW-UHFFFAOYSA-N
XLogP3.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100772662
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide
CID 55395254
3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]propane-1-sulfonamide
CID 97307677
4-(1,3-dioxoisoindol-2-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]butanamide
CID 46413663
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119273367
4-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108538869
N-[1-(4-methoxyphenyl)-3-methylbutyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide
CID 132668944
4-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 41014156
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide
CID 108537858
methyl 2-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]propanoate
CID 19166825
methyl 2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-4-methylpentanoate
CID 18120560
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
CID 42987393

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide (CID 18200491) is 4-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide is COc1ccc(C(NC(=O)CCCN2C(=O)c3ccccc3C2=O)C(C)C)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide?
The InChIKey is PUJFYRLDMFQCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15(2)21(16-10-12-17(29-3)13-11-16)24-20(26)9-6-14-25-22(27)18-7-4-5-8-19(18)23(25)28/h4-5,7-8,10-13,15,21H,6,9,14H2,1-3H3,(H,24,26).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide has a molecular weight of 394.47 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide is sourced from PubChem (CID 18200491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).