(2R)-N-(2-adamantyl)-1-ethylpyrrolidine-2-carboxamide

C17H28N2O — CID 11601544

IUPAC(2R)-N-(2-adamantyl)-1-ethylpyrrolidine-2-carboxamide
SMILESCCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H28N2O/c1-2-19-5-3-4-15(19)17(20)18-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,2-10H2,1H3,(H,18,20)/t11?,12?,13?,14?,15-,16?/m1/s1
InChIKeyUJRJQNDIYCDCNX-BAPHQMLMSA-N
MW276.42 g/mol
LogP2.41
Rot. Bonds3

About (2R)-N-(2-adamantyl)-1-ethylpyrrolidine-2-carboxamide

(2R)-N-(2-adamantyl)-1-ethylpyrrolidine-2-carboxamide (PubChem CID 11601544) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (2R)-N-(2-adamantyl)-1-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-adamantyl)-1-ethylpyrrolidine-2-carboxamide
PubChem CID11601544
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(2R)-N-(2-adamantyl)-1-ethylpyrrolidine-2-carboxamide
SMILESCCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H28N2O/c1-2-19-5-3-4-15(19)17(20)18-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,2-10H2,1H3,(H,18,20)/t11?,12?,13?,14?,15-,16?/m1/s1
InChIKeyUJRJQNDIYCDCNX-BAPHQMLMSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-adamantyl)-1-ethylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-adamantyl)-1-ethylpyrrolidine-2-carboxamide (CID 11601544) is (2R)-N-(2-adamantyl)-1-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-adamantyl)-1-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-adamantyl)-1-ethylpyrrolidine-2-carboxamide is CCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of (2R)-N-(2-adamantyl)-1-ethylpyrrolidine-2-carboxamide?
The InChIKey is UJRJQNDIYCDCNX-BAPHQMLMSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-19-5-3-4-15(19)17(20)18-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,2-10H2,1H3,(H,18,20)/t11?,12?,13?,14?,15-,16?/m1/s1.
What are the key properties of (2R)-N-(2-adamantyl)-1-ethylpyrrolidine-2-carboxamide?
(2R)-N-(2-adamantyl)-1-ethylpyrrolidine-2-carboxamide has a molecular weight of 276.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-adamantyl)-1-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 11601544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).