(2R)-N-(2-adamantyl)-1-(cyclohexylmethyl)pyrrolidine-2-carboxamide

C22H36N2O — CID 11695884

IUPAC(2R)-N-(2-adamantyl)-1-(cyclohexylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCCCC1
InChIInChI=1S/C22H36N2O/c25-22(20-7-4-8-24(20)14-15-5-2-1-3-6-15)23-21-18-10-16-9-17(12-18)13-19(21)11-16/h15-21H,1-14H2,(H,23,25)/t16?,17?,18?,19?,20-,21?/m1/s1
InChIKeyNLFWQCWUWKPTTA-XIWZRWORSA-N
MW344.54 g/mol
LogP3.97
Rot. Bonds4

About (2R)-N-(2-adamantyl)-1-(cyclohexylmethyl)pyrrolidine-2-carboxamide

(2R)-N-(2-adamantyl)-1-(cyclohexylmethyl)pyrrolidine-2-carboxamide (PubChem CID 11695884) has the molecular formula C22H36N2O and a molecular weight of 344.54 g/mol. Its IUPAC name is (2R)-N-(2-adamantyl)-1-(cyclohexylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-adamantyl)-1-(cyclohexylmethyl)pyrrolidine-2-carboxamide
PubChem CID11695884
Molecular FormulaC22H36N2O
Molecular Weight344.54 g/mol
Exact Mass344.28
IUPAC Name(2R)-N-(2-adamantyl)-1-(cyclohexylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCCCC1
InChIInChI=1S/C22H36N2O/c25-22(20-7-4-8-24(20)14-15-5-2-1-3-6-15)23-21-18-10-16-9-17(12-18)13-19(21)11-16/h15-21H,1-14H2,(H,23,25)/t16?,17?,18?,19?,20-,21?/m1/s1
InChIKeyNLFWQCWUWKPTTA-XIWZRWORSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-(2-adamantyl)-1-(cyclohexylmethyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-adamantyl)-1-(cyclohexylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-adamantyl)-1-(cyclohexylmethyl)pyrrolidine-2-carboxamide (CID 11695884) is (2R)-N-(2-adamantyl)-1-(cyclohexylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-adamantyl)-1-(cyclohexylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-adamantyl)-1-(cyclohexylmethyl)pyrrolidine-2-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCCCC1.
What is the InChIKey of (2R)-N-(2-adamantyl)-1-(cyclohexylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is NLFWQCWUWKPTTA-XIWZRWORSA-N. The full InChI is InChI=1S/C22H36N2O/c25-22(20-7-4-8-24(20)14-15-5-2-1-3-6-15)23-21-18-10-16-9-17(12-18)13-19(21)11-16/h15-21H,1-14H2,(H,23,25)/t16?,17?,18?,19?,20-,21?/m1/s1.
What are the key properties of (2R)-N-(2-adamantyl)-1-(cyclohexylmethyl)pyrrolidine-2-carboxamide?
(2R)-N-(2-adamantyl)-1-(cyclohexylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 344.54 g/mol, XLogP of 3.97, 4 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-(cyclohexylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 11695884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).