2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl-di(propan-2-yl)azanium

C19H28N3O3+ — CID 8919123

IUPAC2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl-di(propan-2-yl)azanium
SMILESCC(C)[NH+](CCNC(=O)CCN1C(=O)c2ccccc2C1=O)C(C)C
InChIInChI=1S/C19H27N3O3/c1-13(2)21(14(3)4)12-10-20-17(23)9-11-22-18(24)15-7-5-6-8-16(15)19(22)25/h5-8,13-14H,9-12H2,1-4H3,(H,20,23)/p+1
InChIKeyJZELVEAADFJUKJ-UHFFFAOYSA-O
MW346.45 g/mol
LogP0.49
Rot. Bonds8

About 2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl-di(propan-2-yl)azanium

2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl-di(propan-2-yl)azanium (PubChem CID 8919123) has the molecular formula C19H28N3O3+ and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl-di(propan-2-yl)azanium.

Molecular Properties

Compound Name2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl-di(propan-2-yl)azanium
PubChem CID8919123
Molecular FormulaC19H28N3O3+
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl-di(propan-2-yl)azanium
SMILESCC(C)[NH+](CCNC(=O)CCN1C(=O)c2ccccc2C1=O)C(C)C
InChIInChI=1S/C19H27N3O3/c1-13(2)21(14(3)4)12-10-20-17(23)9-11-22-18(24)15-7-5-6-8-16(15)19(22)25/h5-8,13-14H,9-12H2,1-4H3,(H,20,23)/p+1
InChIKeyJZELVEAADFJUKJ-UHFFFAOYSA-O
XLogP0.49
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-3-methylbutanamide
CID 108538484
3-(1,3-dioxoisoindol-2-yl)-N-[2-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyldisulfanyl]ethyl]propanamide
CID 56842591
N-[2-(dimethylamino)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide;hydrochloride
CID 126460177
3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 8636592
5-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]pentanoic acid
CID 119234174
4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]pentanamide
CID 120562654
3-(1,3-dioxoisoindol-2-yl)-N-[2-(ethylsulfonylamino)ethyl]propanamide
CID 108572140
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide
CID 110417982
N-[2-(2-chloropropanoylamino)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108574020
2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8927721
3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide
CID 110359311
2-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-4-methylpentanoic acid
CID 119252720

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl-di(propan-2-yl)azanium?
The IUPAC name of 2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl-di(propan-2-yl)azanium (CID 8919123) is 2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl-di(propan-2-yl)azanium.
What is the SMILES notation for 2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl-di(propan-2-yl)azanium?
The canonical SMILES for 2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl-di(propan-2-yl)azanium is CC(C)[NH+](CCNC(=O)CCN1C(=O)c2ccccc2C1=O)C(C)C.
What is the InChIKey of 2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl-di(propan-2-yl)azanium?
The InChIKey is JZELVEAADFJUKJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H27N3O3/c1-13(2)21(14(3)4)12-10-20-17(23)9-11-22-18(24)15-7-5-6-8-16(15)19(22)25/h5-8,13-14H,9-12H2,1-4H3,(H,20,23)/p+1.
What are the key properties of 2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl-di(propan-2-yl)azanium?
2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl-di(propan-2-yl)azanium has a molecular weight of 346.45 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl-di(propan-2-yl)azanium is sourced from PubChem (CID 8919123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).