N-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

C21H22N2O4 — CID 32603613

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCOCc1ccccc1CNC(=O)CCN1C(=O)c2ccc(C)cc2C1=O
InChIInChI=1S/C21H22N2O4/c1-14-7-8-17-18(11-14)21(26)23(20(17)25)10-9-19(24)22-12-15-5-3-4-6-16(15)13-27-2/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,24)
InChIKeyYYOCWJMLYVVJSH-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.44
Rot. Bonds7

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

N-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 32603613) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
PubChem CID32603613
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCOCc1ccccc1CNC(=O)CCN1C(=O)c2ccc(C)cc2C1=O
InChIInChI=1S/C21H22N2O4/c1-14-7-8-17-18(11-14)21(26)23(20(17)25)10-9-19(24)22-12-15-5-3-4-6-16(15)13-27-2/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,24)
InChIKeyYYOCWJMLYVVJSH-UHFFFAOYSA-N
XLogP2.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.44
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-fluorophenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30438801
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 55907455
N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 46591341
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-[[3-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 55797930
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 47029004
methyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816833
N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 78855951
N-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
CID 30847840
N-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 97199289
3-(1,3-dioxoisoindol-2-yl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324668
N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 32605316

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (CID 32603613) is N-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is COCc1ccccc1CNC(=O)CCN1C(=O)c2ccc(C)cc2C1=O.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is YYOCWJMLYVVJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14-7-8-17-18(11-14)21(26)23(20(17)25)10-9-19(24)22-12-15-5-3-4-6-16(15)13-27-2/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
N-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 366.42 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 32603613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).