N-[1-(1-adamantyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C17H26N2O2 — CID 78982449

IUPACN-[1-(1-adamantyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CNC(=O)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H26N2O2/c1-10(19-16(21)14-5-15(20)18-9-14)17-6-11-2-12(7-17)4-13(3-11)8-17/h10-14H,2-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyZOKCHPKWWJZHQA-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.84
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]-5-oxopyrrolidine-3-carboxamide

N-[1-(1-adamantyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78982449) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78982449
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[1-(1-adamantyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CNC(=O)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H26N2O2/c1-10(19-16(21)14-5-15(20)18-9-14)17-6-11-2-12(7-17)4-13(3-11)8-17/h10-14H,2-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyZOKCHPKWWJZHQA-UHFFFAOYSA-N
XLogP1.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 78982449) is N-[1-(1-adamantyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-5-oxopyrrolidine-3-carboxamide is CC(NC(=O)C1CNC(=O)C1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZOKCHPKWWJZHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-10(19-16(21)14-5-15(20)18-9-14)17-6-11-2-12(7-17)4-13(3-11)8-17/h10-14H,2-9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[1-(1-adamantyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-[1-(1-adamantyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78982449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).