N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]oxolane-2-carboxamide

C18H21N3O5 — CID 108540726

IUPACN-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]oxolane-2-carboxamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCCNC(=O)C1CCCO1
InChIInChI=1S/C18H21N3O5/c22-15(19-8-9-20-16(23)14-6-3-11-26-14)7-10-21-17(24)12-4-1-2-5-13(12)18(21)25/h1-2,4-5,14H,3,6-11H2,(H,19,22)(H,20,23)
InChIKeyDMYVQABNWAIYQJ-UHFFFAOYSA-N
MW359.38 g/mol
LogP0.08
Rot. Bonds7

About N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]oxolane-2-carboxamide

N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]oxolane-2-carboxamide (PubChem CID 108540726) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]oxolane-2-carboxamide
PubChem CID108540726
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC NameN-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]oxolane-2-carboxamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCCNC(=O)C1CCCO1
InChIInChI=1S/C18H21N3O5/c22-15(19-8-9-20-16(23)14-6-3-11-26-14)7-10-21-17(24)12-4-1-2-5-13(12)18(21)25/h1-2,4-5,14H,3,6-11H2,(H,19,22)(H,20,23)
InChIKeyDMYVQABNWAIYQJ-UHFFFAOYSA-N
XLogP0.08
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]cyclohexanecarboxamide
CID 108538961
N-[2-[(2-benzamidoacetyl)amino]ethyl]oxolane-2-carboxamide
CID 108539293
3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide
CID 110359311
3-(1,3-dioxoisoindol-2-yl)-N-[2-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyldisulfanyl]ethyl]propanamide
CID 56842591
3-(1,3-dioxoisoindol-2-yl)propyl oxolane-2-carboxylate
CID 110495047
N-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide
CID 119783948
N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-3-methylbutanamide
CID 108538484
6-(1,3-dioxoisoindol-2-yl)hexyl (2R)-oxolane-2-carboxylate
CID 166185241
6-(1,3-dioxoisoindol-2-yl)hexyl (2S)-oxolane-2-carboxylate
CID 166190465
5-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]pentanoic acid
CID 119234174
3-(1,3-dioxoisoindol-2-yl)-N-[2-(ethylsulfonylamino)ethyl]propanamide
CID 108572140
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propanamide
CID 110710106

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]oxolane-2-carboxamide (CID 108540726) is N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]oxolane-2-carboxamide is O=C(CCN1C(=O)c2ccccc2C1=O)NCCNC(=O)C1CCCO1.
What is the InChIKey of N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]oxolane-2-carboxamide?
The InChIKey is DMYVQABNWAIYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c22-15(19-8-9-20-16(23)14-6-3-11-26-14)7-10-21-17(24)12-4-1-2-5-13(12)18(21)25/h1-2,4-5,14H,3,6-11H2,(H,19,22)(H,20,23).
What are the key properties of N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]oxolane-2-carboxamide?
N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]oxolane-2-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 108540726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).