N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

C15H18N2O4 — CID 78855951

IUPACN-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)NCC(C)O)C2=O
InChIInChI=1S/C15H18N2O4/c1-9-3-4-11-12(7-9)15(21)17(14(11)20)6-5-13(19)16-8-10(2)18/h3-4,7,10,18H,5-6,8H2,1-2H3,(H,16,19)
InChIKeyRPQPXHPDFPOWIT-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.48
Rot. Bonds5

About N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 78855951) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
PubChem CID78855951
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)NCC(C)O)C2=O
InChIInChI=1S/C15H18N2O4/c1-9-3-4-11-12(7-9)15(21)17(14(11)20)6-5-13(19)16-8-10(2)18/h3-4,7,10,18H,5-6,8H2,1-2H3,(H,16,19)
InChIKeyRPQPXHPDFPOWIT-UHFFFAOYSA-N
XLogP0.48
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]propanamide
CID 97006967
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 78866341
N-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 97199289
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 27230477
N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 46591341
N-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27770580
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 55907455
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 55797930
methyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816833
N-(3-ethoxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 27680688
N-[(2-fluorophenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30438801
2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione
CID 61208292

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (CID 78855951) is N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is Cc1ccc2c(c1)C(=O)N(CCC(=O)NCC(C)O)C2=O.
What is the InChIKey of N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is RPQPXHPDFPOWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-3-4-11-12(7-9)15(21)17(14(11)20)6-5-13(19)16-8-10(2)18/h3-4,7,10,18H,5-6,8H2,1-2H3,(H,16,19).
What are the key properties of N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 290.32 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 78855951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).