3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide

C22H24N2O4 — CID 55907455

IUPAC3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)NCc1ccccc1OC(C)C)C2=O
InChIInChI=1S/C22H24N2O4/c1-14(2)28-19-7-5-4-6-16(19)13-23-20(25)10-11-24-21(26)17-9-8-15(3)12-18(17)22(24)27/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,25)
InChIKeyVJAVMDLXVALSEI-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.08
Rot. Bonds7

About 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide

3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 55907455) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID55907455
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)NCc1ccccc1OC(C)C)C2=O
InChIInChI=1S/C22H24N2O4/c1-14(2)28-19-7-5-4-6-16(19)13-23-20(25)10-11-24-21(26)17-9-8-15(3)12-18(17)22(24)27/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,25)
InChIKeyVJAVMDLXVALSEI-UHFFFAOYSA-N
XLogP3.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.08
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

N-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 32603613
N-[(2-fluorophenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30438801
N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 46591341
N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 78855951
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 55797930
N-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 97199289
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 60551623
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 47029004
3-(1,3-dioxoisoindol-2-yl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide
CID 110730354
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]propanamide
CID 97006967
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 27230477
N-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
CID 30847840

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide (CID 55907455) is 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide is Cc1ccc2c(c1)C(=O)N(CCC(=O)NCc1ccccc1OC(C)C)C2=O.
What is the InChIKey of 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is VJAVMDLXVALSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14(2)28-19-7-5-4-6-16(19)13-23-20(25)10-11-24-21(26)17-9-8-15(3)12-18(17)22(24)27/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,25).
What are the key properties of 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide?
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 380.44 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 55907455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).