3-(3-cycloheptyl-2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyethyl)propanamide

C18H30N2O4 — CID 134387206

IUPAC3-(3-cycloheptyl-2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyethyl)propanamide
SMILESCCOCCNC(=O)CCN1C(=O)CC(C2CCCCCC2)C1=O
InChIInChI=1S/C18H30N2O4/c1-2-24-12-10-19-16(21)9-11-20-17(22)13-15(18(20)23)14-7-5-3-4-6-8-14/h14-15H,2-13H2,1H3,(H,19,21)
InChIKeyOUPDEJWXWDNNCS-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.87
Rot. Bonds8

About 3-(3-cycloheptyl-2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyethyl)propanamide

3-(3-cycloheptyl-2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyethyl)propanamide (PubChem CID 134387206) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(3-cycloheptyl-2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyethyl)propanamide.

Molecular Properties

Compound Name3-(3-cycloheptyl-2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyethyl)propanamide
PubChem CID134387206
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name3-(3-cycloheptyl-2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyethyl)propanamide
SMILESCCOCCNC(=O)CCN1C(=O)CC(C2CCCCCC2)C1=O
InChIInChI=1S/C18H30N2O4/c1-2-24-12-10-19-16(21)9-11-20-17(22)13-15(18(20)23)14-7-5-3-4-6-8-14/h14-15H,2-13H2,1H3,(H,19,21)
InChIKeyOUPDEJWXWDNNCS-UHFFFAOYSA-N
XLogP1.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-[2,5-dioxo-3-(thiocan-5-yl)pyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 166072974
3-(3-cyclopropyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methylbut-3-enyl)propanamide
CID 172576806
N-(3-cyclohexyl-3-oxopropyl)-3-[4-[3-[2-[2-[3-(3-cyclopentyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]phenyl]propanamide
CID 126699016
N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 163865588
3-ethoxy-N-propylpropanamide;N-methyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 123603961
ethane;3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide
CID 155745456
N-(2-methoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59257637
3-(2,5-dioxo-3-prop-1-en-2-ylpyrrolidin-1-yl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 156842258
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide
CID 121480755
2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl N-ethylcarbamate
CID 167208030
N-[2-[2-[2-(3-ethyl-3-methylpentoxy)ethoxy]ethoxy]ethyl]-3-[3-(2-methylbutan-2-yl)-2,5-dioxopyrrolidin-1-yl]propanamide
CID 166462537
3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 67977208

Frequently Asked Questions

What is the IUPAC name of 3-(3-cycloheptyl-2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyethyl)propanamide?
The IUPAC name of 3-(3-cycloheptyl-2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyethyl)propanamide (CID 134387206) is 3-(3-cycloheptyl-2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyethyl)propanamide.
What is the SMILES notation for 3-(3-cycloheptyl-2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyethyl)propanamide?
The canonical SMILES for 3-(3-cycloheptyl-2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyethyl)propanamide is CCOCCNC(=O)CCN1C(=O)CC(C2CCCCCC2)C1=O.
What is the InChIKey of 3-(3-cycloheptyl-2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyethyl)propanamide?
The InChIKey is OUPDEJWXWDNNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-2-24-12-10-19-16(21)9-11-20-17(22)13-15(18(20)23)14-7-5-3-4-6-8-14/h14-15H,2-13H2,1H3,(H,19,21).
What are the key properties of 3-(3-cycloheptyl-2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyethyl)propanamide?
3-(3-cycloheptyl-2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyethyl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cycloheptyl-2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyethyl)propanamide is sourced from PubChem (CID 134387206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).