(2R)-N-(2-adamantyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide

C21H34N2O2 — CID 46888869

IUPAC(2R)-N-(2-adamantyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCOCC1
InChIInChI=1S/C21H34N2O2/c24-21(19-2-1-5-23(19)13-14-3-6-25-7-4-14)22-20-17-9-15-8-16(11-17)12-18(20)10-15/h14-20H,1-13H2,(H,22,24)/t15?,16?,17?,18?,19-,20?/m1/s1
InChIKeyMBNQZQLPCFGXAR-RDOIFFKNSA-N
MW346.52 g/mol
LogP2.82
Rot. Bonds4

About (2R)-N-(2-adamantyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide

(2R)-N-(2-adamantyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 46888869) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is (2R)-N-(2-adamantyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-adamantyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID46888869
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC Name(2R)-N-(2-adamantyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCOCC1
InChIInChI=1S/C21H34N2O2/c24-21(19-2-1-5-23(19)13-14-3-6-25-7-4-14)22-20-17-9-15-8-16(11-17)12-18(20)10-15/h14-20H,1-13H2,(H,22,24)/t15?,16?,17?,18?,19-,20?/m1/s1
InChIKeyMBNQZQLPCFGXAR-RDOIFFKNSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-adamantyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-adamantyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide (CID 46888869) is (2R)-N-(2-adamantyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-adamantyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-adamantyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCOCC1.
What is the InChIKey of (2R)-N-(2-adamantyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is MBNQZQLPCFGXAR-RDOIFFKNSA-N. The full InChI is InChI=1S/C21H34N2O2/c24-21(19-2-1-5-23(19)13-14-3-6-25-7-4-14)22-20-17-9-15-8-16(11-17)12-18(20)10-15/h14-20H,1-13H2,(H,22,24)/t15?,16?,17?,18?,19-,20?/m1/s1.
What are the key properties of (2R)-N-(2-adamantyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
(2R)-N-(2-adamantyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 346.52 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-adamantyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46888869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).