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

C20H32N2O — CID 46888802

IUPAC(2R)-N-(2-adamantyl)-1-(cyclobutylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCC1
InChIInChI=1S/C20H32N2O/c23-20(18-5-2-6-22(18)12-13-3-1-4-13)21-19-16-8-14-7-15(10-16)11-17(19)9-14/h13-19H,1-12H2,(H,21,23)/t14?,15?,16?,17?,18-,19?/m1/s1
InChIKeyVCLACYIKLOXWGT-OIAUPDTQSA-N
MW316.49 g/mol
LogP3.19
Rot. Bonds4

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

(2R)-N-(2-adamantyl)-1-(cyclobutylmethyl)pyrrolidine-2-carboxamide (PubChem CID 46888802) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is (2R)-N-(2-adamantyl)-1-(cyclobutylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-adamantyl)-1-(cyclobutylmethyl)pyrrolidine-2-carboxamide
PubChem CID46888802
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name(2R)-N-(2-adamantyl)-1-(cyclobutylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCC1
InChIInChI=1S/C20H32N2O/c23-20(18-5-2-6-22(18)12-13-3-1-4-13)21-19-16-8-14-7-15(10-16)11-17(19)9-14/h13-19H,1-12H2,(H,21,23)/t14?,15?,16?,17?,18-,19?/m1/s1
InChIKeyVCLACYIKLOXWGT-OIAUPDTQSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.19
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-(cyclobutylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-adamantyl)-1-(cyclobutylmethyl)pyrrolidine-2-carboxamide (CID 46888802) is (2R)-N-(2-adamantyl)-1-(cyclobutylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-adamantyl)-1-(cyclobutylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-adamantyl)-1-(cyclobutylmethyl)pyrrolidine-2-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCC1.
What is the InChIKey of (2R)-N-(2-adamantyl)-1-(cyclobutylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is VCLACYIKLOXWGT-OIAUPDTQSA-N. The full InChI is InChI=1S/C20H32N2O/c23-20(18-5-2-6-22(18)12-13-3-1-4-13)21-19-16-8-14-7-15(10-16)11-17(19)9-14/h13-19H,1-12H2,(H,21,23)/t14?,15?,16?,17?,18-,19?/m1/s1.
What are the key properties of (2R)-N-(2-adamantyl)-1-(cyclobutylmethyl)pyrrolidine-2-carboxamide?
(2R)-N-(2-adamantyl)-1-(cyclobutylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 316.49 g/mol, XLogP of 3.19, 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-(cyclobutylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46888802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).