(2R)-N-(2-adamantyl)-N-methyl-5-oxopyrrolidine-2-carboxamide

C16H24N2O2 — CID 75407094

IUPAC(2R)-N-(2-adamantyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN(C(=O)[C@H]1CCC(=O)N1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24N2O2/c1-18(16(20)13-2-3-14(19)17-13)15-11-5-9-4-10(7-11)8-12(15)6-9/h9-13,15H,2-8H2,1H3,(H,17,19)/t9?,10?,11?,12?,13-,15?/m1/s1
InChIKeyLMTRIAJJCNTDPF-CNOYCBBQSA-N
MW276.38 g/mol
LogP1.55
Rot. Bonds2

About (2R)-N-(2-adamantyl)-N-methyl-5-oxopyrrolidine-2-carboxamide

(2R)-N-(2-adamantyl)-N-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 75407094) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R)-N-(2-adamantyl)-N-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-adamantyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID75407094
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2R)-N-(2-adamantyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN(C(=O)[C@H]1CCC(=O)N1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24N2O2/c1-18(16(20)13-2-3-14(19)17-13)15-11-5-9-4-10(7-11)8-12(15)6-9/h9-13,15H,2-8H2,1H3,(H,17,19)/t9?,10?,11?,12?,13-,15?/m1/s1
InChIKeyLMTRIAJJCNTDPF-CNOYCBBQSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.55
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)-N-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-adamantyl)-N-methyl-5-oxopyrrolidine-2-carboxamide (CID 75407094) is (2R)-N-(2-adamantyl)-N-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-adamantyl)-N-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-adamantyl)-N-methyl-5-oxopyrrolidine-2-carboxamide is CN(C(=O)[C@H]1CCC(=O)N1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of (2R)-N-(2-adamantyl)-N-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is LMTRIAJJCNTDPF-CNOYCBBQSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(16(20)13-2-3-14(19)17-13)15-11-5-9-4-10(7-11)8-12(15)6-9/h9-13,15H,2-8H2,1H3,(H,17,19)/t9?,10?,11?,12?,13-,15?/m1/s1.
What are the key properties of (2R)-N-(2-adamantyl)-N-methyl-5-oxopyrrolidine-2-carboxamide?
(2R)-N-(2-adamantyl)-N-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-adamantyl)-N-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 75407094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).