(2R)-N-cyclohexyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide

C18H33N3O2 — CID 100854288

IUPAC(2R)-N-cyclohexyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide
SMILESC[C@@H]1CN(C[C@H]2CCCN2C(=O)NC2CCCCC2)C[C@H](C)O1
InChIInChI=1S/C18H33N3O2/c1-14-11-20(12-15(2)23-14)13-17-9-6-10-21(17)18(22)19-16-7-4-3-5-8-16/h14-17H,3-13H2,1-2H3,(H,19,22)/t14-,15+,17-/m1/s1
InChIKeyORIFNUMBOWWDTF-HLLBOEOZSA-N
MW323.48 g/mol
LogP2.60
Rot. Bonds3

About (2R)-N-cyclohexyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide

(2R)-N-cyclohexyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 100854288) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID100854288
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name(2R)-N-cyclohexyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide
SMILESC[C@@H]1CN(C[C@H]2CCCN2C(=O)NC2CCCCC2)C[C@H](C)O1
InChIInChI=1S/C18H33N3O2/c1-14-11-20(12-15(2)23-14)13-17-9-6-10-21(17)18(22)19-16-7-4-3-5-8-16/h14-17H,3-13H2,1-2H3,(H,19,22)/t14-,15+,17-/m1/s1
InChIKeyORIFNUMBOWWDTF-HLLBOEOZSA-N
XLogP2.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-cyclohexyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

(2S)-N-cyclohexyl-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carbothioamide
CID 95348894
(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
CID 100841076
(2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427691
N-cyclopropyl-2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
CID 95171694
N-cyclopropyl-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 56799450
N-cyclopentyl-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-carboxamide
CID 91909230
3-amino-1-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124692187
3-amino-1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124692182
N-cyclohexyl-2-ethylazepane-1-carboxamide
CID 113240213
N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 2930684
(2R)-N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 896060
N-cyclooctyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2446989

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide (CID 100854288) is (2R)-N-cyclohexyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide is C[C@@H]1CN(C[C@H]2CCCN2C(=O)NC2CCCCC2)C[C@H](C)O1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is ORIFNUMBOWWDTF-HLLBOEOZSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-14-11-20(12-15(2)23-14)13-17-9-6-10-21(17)18(22)19-16-7-4-3-5-8-16/h14-17H,3-13H2,1-2H3,(H,19,22)/t14-,15+,17-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide?
(2R)-N-cyclohexyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 323.48 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 100854288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).