N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide

C20H20N2O4 — CID 1300764

IUPACN-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C20H20N2O4/c23-13-12-21(14-15-6-2-1-3-7-15)18(24)10-11-22-19(25)16-8-4-5-9-17(16)20(22)26/h1-9,23H,10-14H2
InChIKeyNFTDYKJITXLSCQ-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.69
Rot. Bonds7

About N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide

N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide (PubChem CID 1300764) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide
PubChem CID1300764
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C20H20N2O4/c23-13-12-21(14-15-6-2-1-3-7-15)18(24)10-11-22-19(25)16-8-4-5-9-17(16)20(22)26/h1-9,23H,10-14H2
InChIKeyNFTDYKJITXLSCQ-UHFFFAOYSA-N
XLogP1.69
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.69
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-(hydroxymethyl)phthalimide
CID 8354
N-Butylphthalimide
CID 73812
N-Ethylphthalimide
CID 21120
N-Phthaloylglycine
CID 20825
Pyrrolidine, 1-(o-benzoylbenzoyl)-
CID 208220
N-Phthaloyl-DL-phenylalanine
CID 227754
N-(2-Methylallyl)-phthalimide
CID 231838
N,N'-Trimethylenediphthalimide
CID 248109
N-Cyclohexylphthalimide
CID 225739
PIMOM (N-Methoxymethyl phthalimide
CID 12246933
2-Benzylisoindolin-1-one
CID 1485883
Phthalimide, N-((morpholinocarbonyl)methyl)-
CID 95006

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide (CID 1300764) is N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide?
The InChIKey is NFTDYKJITXLSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-13-12-21(14-15-6-2-1-3-7-15)18(24)10-11-22-19(25)16-8-4-5-9-17(16)20(22)26/h1-9,23H,10-14H2.
What are the key properties of N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide?
N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide has a molecular weight of 352.39 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 1300764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).