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

C19H32N2O — CID 46888801

IUPAC(2R)-N-(2-adamantyl)-1-(2-methylpropyl)pyrrolidine-2-carboxamide
SMILESCC(C)CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H32N2O/c1-12(2)11-21-5-3-4-17(21)19(22)20-18-15-7-13-6-14(9-15)10-16(18)8-13/h12-18H,3-11H2,1-2H3,(H,20,22)/t13?,14?,15?,16?,17-,18?/m1/s1
InChIKeyPGOYJAUWQHMNDQ-SVXFNXITSA-N
MW304.48 g/mol
LogP3.05
Rot. Bonds4

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

(2R)-N-(2-adamantyl)-1-(2-methylpropyl)pyrrolidine-2-carboxamide (PubChem CID 46888801) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is (2R)-N-(2-adamantyl)-1-(2-methylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-adamantyl)-1-(2-methylpropyl)pyrrolidine-2-carboxamide
PubChem CID46888801
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name(2R)-N-(2-adamantyl)-1-(2-methylpropyl)pyrrolidine-2-carboxamide
SMILESCC(C)CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H32N2O/c1-12(2)11-21-5-3-4-17(21)19(22)20-18-15-7-13-6-14(9-15)10-16(18)8-13/h12-18H,3-11H2,1-2H3,(H,20,22)/t13?,14?,15?,16?,17-,18?/m1/s1
InChIKeyPGOYJAUWQHMNDQ-SVXFNXITSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.05
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-(2-methylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-adamantyl)-1-(2-methylpropyl)pyrrolidine-2-carboxamide (CID 46888801) is (2R)-N-(2-adamantyl)-1-(2-methylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-adamantyl)-1-(2-methylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-adamantyl)-1-(2-methylpropyl)pyrrolidine-2-carboxamide is CC(C)CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of (2R)-N-(2-adamantyl)-1-(2-methylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is PGOYJAUWQHMNDQ-SVXFNXITSA-N. The full InChI is InChI=1S/C19H32N2O/c1-12(2)11-21-5-3-4-17(21)19(22)20-18-15-7-13-6-14(9-15)10-16(18)8-13/h12-18H,3-11H2,1-2H3,(H,20,22)/t13?,14?,15?,16?,17-,18?/m1/s1.
What are the key properties of (2R)-N-(2-adamantyl)-1-(2-methylpropyl)pyrrolidine-2-carboxamide?
(2R)-N-(2-adamantyl)-1-(2-methylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 304.48 g/mol, XLogP of 3.05, 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-(2-methylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46888801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).