(2R)-N-(2-adamantyl)-1-propan-2-ylpyrrolidine-2-carboxamide

C18H30N2O — CID 46888800

IUPAC(2R)-N-(2-adamantyl)-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H30N2O/c1-11(2)20-5-3-4-16(20)18(21)19-17-14-7-12-6-13(9-14)10-15(17)8-12/h11-17H,3-10H2,1-2H3,(H,19,21)/t12?,13?,14?,15?,16-,17?/m1/s1
InChIKeyQKHSYRCSYFWCMW-OBYDGYHJSA-N
MW290.45 g/mol
LogP2.80
Rot. Bonds3

About (2R)-N-(2-adamantyl)-1-propan-2-ylpyrrolidine-2-carboxamide

(2R)-N-(2-adamantyl)-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 46888800) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is (2R)-N-(2-adamantyl)-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-adamantyl)-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID46888800
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name(2R)-N-(2-adamantyl)-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H30N2O/c1-11(2)20-5-3-4-16(20)18(21)19-17-14-7-12-6-13(9-14)10-15(17)8-12/h11-17H,3-10H2,1-2H3,(H,19,21)/t12?,13?,14?,15?,16-,17?/m1/s1
InChIKeyQKHSYRCSYFWCMW-OBYDGYHJSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-adamantyl)-1-propan-2-ylpyrrolidine-2-carboxamide (CID 46888800) is (2R)-N-(2-adamantyl)-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-adamantyl)-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-adamantyl)-1-propan-2-ylpyrrolidine-2-carboxamide is CC(C)N1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of (2R)-N-(2-adamantyl)-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is QKHSYRCSYFWCMW-OBYDGYHJSA-N. The full InChI is InChI=1S/C18H30N2O/c1-11(2)20-5-3-4-16(20)18(21)19-17-14-7-12-6-13(9-14)10-15(17)8-12/h11-17H,3-10H2,1-2H3,(H,19,21)/t12?,13?,14?,15?,16-,17?/m1/s1.
What are the key properties of (2R)-N-(2-adamantyl)-1-propan-2-ylpyrrolidine-2-carboxamide?
(2R)-N-(2-adamantyl)-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 2.80, 3 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-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 46888800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).