N-[1-(1,3-dioxoisoindol-2-yl)ethyl]propanamide

C13H14N2O3 — CID 70491073

IUPACN-[1-(1,3-dioxoisoindol-2-yl)ethyl]propanamide
SMILESCCC(=O)NC(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H14N2O3/c1-3-11(16)14-8(2)15-12(17)9-6-4-5-7-10(9)13(15)18/h4-8H,3H2,1-2H3,(H,14,16)
InChIKeyAUDSNSWUHVFDBO-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.15
Rot. Bonds3

About N-[1-(1,3-dioxoisoindol-2-yl)ethyl]propanamide

N-[1-(1,3-dioxoisoindol-2-yl)ethyl]propanamide (PubChem CID 70491073) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[1-(1,3-dioxoisoindol-2-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[1-(1,3-dioxoisoindol-2-yl)ethyl]propanamide
PubChem CID70491073
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-[1-(1,3-dioxoisoindol-2-yl)ethyl]propanamide
SMILESCCC(=O)NC(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H14N2O3/c1-3-11(16)14-8(2)15-12(17)9-6-4-5-7-10(9)13(15)18/h4-8H,3H2,1-2H3,(H,14,16)
InChIKeyAUDSNSWUHVFDBO-UHFFFAOYSA-N
XLogP1.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1,3-dioxoisoindol-2-yl)ethyl]acetamide
CID 70491121
N-[(E)-[(2S)-1-amino-2-(1,3-dioxoisoindol-2-yl)propylidene]amino]propanamide
CID 97312193
2-(2,5-dimethyl-4-oxohexan-3-yl)isoindole-1,3-dione
CID 70891240
1-[1-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea
CID 19259042
CID 163871249
CID 163871249
(3R)-3-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid
CID 46895638
methyl (2S,4S)-4-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopentanoate
CID 100964209
2-(3-oxobutan-2-yl)isoindole-1,3-dione
CID 12910747
N-butan-2-yl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 47137532
2-(4,4-dichloro-3-oxobutan-2-yl)isoindole-1,3-dione
CID 18704328
(2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoic acid
CID 774771
methyl (3R)-3-(1,3-dioxoisoindol-2-yl)butanoate
CID 96582705

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dioxoisoindol-2-yl)ethyl]propanamide?
The IUPAC name of N-[1-(1,3-dioxoisoindol-2-yl)ethyl]propanamide (CID 70491073) is N-[1-(1,3-dioxoisoindol-2-yl)ethyl]propanamide.
What is the SMILES notation for N-[1-(1,3-dioxoisoindol-2-yl)ethyl]propanamide?
The canonical SMILES for N-[1-(1,3-dioxoisoindol-2-yl)ethyl]propanamide is CCC(=O)NC(C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[1-(1,3-dioxoisoindol-2-yl)ethyl]propanamide?
The InChIKey is AUDSNSWUHVFDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-11(16)14-8(2)15-12(17)9-6-4-5-7-10(9)13(15)18/h4-8H,3H2,1-2H3,(H,14,16).
What are the key properties of N-[1-(1,3-dioxoisoindol-2-yl)ethyl]propanamide?
N-[1-(1,3-dioxoisoindol-2-yl)ethyl]propanamide has a molecular weight of 246.27 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dioxoisoindol-2-yl)ethyl]propanamide is sourced from PubChem (CID 70491073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).