N-[1-(1-adamantyl)ethyl]-4-methylpyrrolidine-3-carboxamide

C18H30N2O — CID 63721859

IUPACN-[1-(1-adamantyl)ethyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30N2O/c1-11-9-19-10-16(11)17(21)20-12(2)18-6-13-3-14(7-18)5-15(4-13)8-18/h11-16,19H,3-10H2,1-2H3,(H,20,21)
InChIKeyFJJBHTAQFLGEIG-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.56
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]-4-methylpyrrolidine-3-carboxamide

N-[1-(1-adamantyl)ethyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 63721859) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID63721859
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[1-(1-adamantyl)ethyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30N2O/c1-11-9-19-10-16(11)17(21)20-12(2)18-6-13-3-14(7-18)5-15(4-13)8-18/h11-16,19H,3-10H2,1-2H3,(H,20,21)
InChIKeyFJJBHTAQFLGEIG-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.56
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]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-4-methylpyrrolidine-3-carboxamide (CID 63721859) is N-[1-(1-adamantyl)ethyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)NC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is FJJBHTAQFLGEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-11-9-19-10-16(11)17(21)20-12(2)18-6-13-3-14(7-18)5-15(4-13)8-18/h11-16,19H,3-10H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(1-adamantyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
N-[1-(1-adamantyl)ethyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 2.56, 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]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63721859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).