N-(1-adamantyl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide

C21H30N2O5 — CID 58545015

IUPACN-(1-adamantyl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide
SMILESO=C(CCOCCOCCN1C(=O)C=CC1=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H30N2O5/c24-18(22-21-12-15-9-16(13-21)11-17(10-15)14-21)3-5-27-7-8-28-6-4-23-19(25)1-2-20(23)26/h1-2,15-17H,3-14H2,(H,22,24)
InChIKeyAIBXQVGFZPWUSK-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.42
Rot. Bonds10

About N-(1-adamantyl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide

N-(1-adamantyl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide (PubChem CID 58545015) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(1-adamantyl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide
PubChem CID58545015
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC NameN-(1-adamantyl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide
SMILESO=C(CCOCCOCCN1C(=O)C=CC1=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H30N2O5/c24-18(22-21-12-15-9-16(13-21)11-17(10-15)14-21)3-5-27-7-8-28-6-4-23-19(25)1-2-20(23)26/h1-2,15-17H,3-14H2,(H,22,24)
InChIKeyAIBXQVGFZPWUSK-UHFFFAOYSA-N
XLogP1.42
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1-adamantyl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-adamantyl)-3-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]propanamide
CID 58545006
3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylpropanamide
CID 71127231
3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-ethylpropanamide
CID 144940675
1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 139443419
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide
CID 59129901
3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-pentylpropanamide
CID 121327567
1-[2-[2-[2-[2-[[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-bicyclo[1.1.1]pentanyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 168985617
N-(1-adamantyl)-7-(1,3-dioxoisoindol-2-yl)heptanamide
CID 3848841
4-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(1-adamantyl)butanamide
CID 8835238
1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane
CID 160561289
22-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]-20-oxodocosanoic acid
CID 123221615
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 137334014

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide?
The IUPAC name of N-(1-adamantyl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide (CID 58545015) is N-(1-adamantyl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide.
What is the SMILES notation for N-(1-adamantyl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide?
The canonical SMILES for N-(1-adamantyl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide is O=C(CCOCCOCCN1C(=O)C=CC1=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide?
The InChIKey is AIBXQVGFZPWUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5/c24-18(22-21-12-15-9-16(13-21)11-17(10-15)14-21)3-5-27-7-8-28-6-4-23-19(25)1-2-20(23)26/h1-2,15-17H,3-14H2,(H,22,24).
What are the key properties of N-(1-adamantyl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide?
N-(1-adamantyl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide has a molecular weight of 390.48 g/mol, XLogP of 1.42, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide is sourced from PubChem (CID 58545015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).