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

C21H34N2O — CID 11667087

IUPAC(2R)-N-(2-adamantyl)-1-(cyclopentylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCCC1
InChIInChI=1S/C21H34N2O/c24-21(19-6-3-7-23(19)13-14-4-1-2-5-14)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
InChIKeyVUHCMAVSZJDZHF-RDOIFFKNSA-N
MW330.52 g/mol
LogP3.58
Rot. Bonds4

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

(2R)-N-(2-adamantyl)-1-(cyclopentylmethyl)pyrrolidine-2-carboxamide (PubChem CID 11667087) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is (2R)-N-(2-adamantyl)-1-(cyclopentylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-adamantyl)-1-(cyclopentylmethyl)pyrrolidine-2-carboxamide
PubChem CID11667087
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name(2R)-N-(2-adamantyl)-1-(cyclopentylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCCC1
InChIInChI=1S/C21H34N2O/c24-21(19-6-3-7-23(19)13-14-4-1-2-5-14)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
InChIKeyVUHCMAVSZJDZHF-RDOIFFKNSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.58
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-(cyclopentylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-adamantyl)-1-(cyclopentylmethyl)pyrrolidine-2-carboxamide (CID 11667087) is (2R)-N-(2-adamantyl)-1-(cyclopentylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-adamantyl)-1-(cyclopentylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-adamantyl)-1-(cyclopentylmethyl)pyrrolidine-2-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCCC1.
What is the InChIKey of (2R)-N-(2-adamantyl)-1-(cyclopentylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is VUHCMAVSZJDZHF-RDOIFFKNSA-N. The full InChI is InChI=1S/C21H34N2O/c24-21(19-6-3-7-23(19)13-14-4-1-2-5-14)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-(cyclopentylmethyl)pyrrolidine-2-carboxamide?
(2R)-N-(2-adamantyl)-1-(cyclopentylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 330.52 g/mol, XLogP of 3.58, 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-(cyclopentylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 11667087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).