4-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide

C22H24N2O4 — CID 46588371

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H24N2O4/c1-15(16-9-6-7-12-19(16)28-3)23(2)20(25)13-8-14-24-21(26)17-10-4-5-11-18(17)22(24)27/h4-7,9-12,15H,8,13-14H2,1-3H3
InChIKeyQYDCCCLUMRMRDO-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.29
Rot. Bonds7

About 4-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide

4-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide (PubChem CID 46588371) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide
PubChem CID46588371
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H24N2O4/c1-15(16-9-6-7-12-19(16)28-3)23(2)20(25)13-8-14-24-21(26)17-10-4-5-11-18(17)22(24)27/h4-7,9-12,15H,8,13-14H2,1-3H3
InChIKeyQYDCCCLUMRMRDO-UHFFFAOYSA-N
XLogP3.29
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54871032
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-methyl-N-(1-phenylethyl)butanamide
CID 43021998
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide
CID 134054458
4-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide
CID 110291134
2-[3-(1,3-dioxoisoindol-2-yl)propanoyl-methylamino]propanoic acid
CID 119208715
4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 100719607
N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-methylbutanamide
CID 16562154
N-[(1S)-1-(2-bromophenyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 8759838
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 95279087
4-(1,3-dioxoisoindol-2-yl)-N-[(2-methylphenyl)methyl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 132674848
4-(1,3-dioxoisoindol-2-yl)-N-[(2-methylphenyl)methyl]-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 100653456
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide (CID 46588371) is 4-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide is COc1ccccc1C(C)N(C)C(=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide?
The InChIKey is QYDCCCLUMRMRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15(16-9-6-7-12-19(16)28-3)23(2)20(25)13-8-14-24-21(26)17-10-4-5-11-18(17)22(24)27/h4-7,9-12,15H,8,13-14H2,1-3H3.
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide has a molecular weight of 380.44 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 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-(2-methoxyphenyl)ethyl]-N-methylbutanamide is sourced from PubChem (CID 46588371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).