(2R)-N-(2-adamantyl)-1-propylpyrrolidine-2-carboxamide

C18H30N2O — CID 11565519

IUPAC(2R)-N-(2-adamantyl)-1-propylpyrrolidine-2-carboxamide
SMILESCCCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H30N2O/c1-2-5-20-6-3-4-16(20)18(21)19-17-14-8-12-7-13(10-14)11-15(17)9-12/h12-17H,2-11H2,1H3,(H,19,21)/t12?,13?,14?,15?,16-,17?/m1/s1
InChIKeyFCQOLBPVQGCNCP-OBYDGYHJSA-N
MW290.45 g/mol
LogP2.80
Rot. Bonds4

About (2R)-N-(2-adamantyl)-1-propylpyrrolidine-2-carboxamide

(2R)-N-(2-adamantyl)-1-propylpyrrolidine-2-carboxamide (PubChem CID 11565519) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is (2R)-N-(2-adamantyl)-1-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-adamantyl)-1-propylpyrrolidine-2-carboxamide
PubChem CID11565519
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name(2R)-N-(2-adamantyl)-1-propylpyrrolidine-2-carboxamide
SMILESCCCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H30N2O/c1-2-5-20-6-3-4-16(20)18(21)19-17-14-8-12-7-13(10-14)11-15(17)9-12/h12-17H,2-11H2,1H3,(H,19,21)/t12?,13?,14?,15?,16-,17?/m1/s1
InChIKeyFCQOLBPVQGCNCP-OBYDGYHJSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.80
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-propylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-adamantyl)-1-propylpyrrolidine-2-carboxamide (CID 11565519) is (2R)-N-(2-adamantyl)-1-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-adamantyl)-1-propylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-adamantyl)-1-propylpyrrolidine-2-carboxamide is CCCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of (2R)-N-(2-adamantyl)-1-propylpyrrolidine-2-carboxamide?
The InChIKey is FCQOLBPVQGCNCP-OBYDGYHJSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-5-20-6-3-4-16(20)18(21)19-17-14-8-12-7-13(10-14)11-15(17)9-12/h12-17H,2-11H2,1H3,(H,19,21)/t12?,13?,14?,15?,16-,17?/m1/s1.
What are the key properties of (2R)-N-(2-adamantyl)-1-propylpyrrolidine-2-carboxamide?
(2R)-N-(2-adamantyl)-1-propylpyrrolidine-2-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 2.80, 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-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 11565519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).