(2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide

C20H31N3O2 — CID 100844139

IUPAC(2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)C[C@@H](C)O1
InChIInChI=1S/C20H31N3O2/c1-16-13-23(14-17(2)25-16)20(24)21-12-19-9-11-22(15-19)10-8-18-6-4-3-5-7-18/h3-7,16-17,19H,8-15H2,1-2H3,(H,21,24)/t16-,17-,19-/m1/s1
InChIKeyJIMRJTFPNJQZAH-ZHALLVOQSA-N
MW345.49 g/mol
LogP2.37
Rot. Bonds5

About (2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide

(2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide (PubChem CID 100844139) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
PubChem CID100844139
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)C[C@@H](C)O1
InChIInChI=1S/C20H31N3O2/c1-16-13-23(14-17(2)25-16)20(24)21-12-19-9-11-22(15-19)10-8-18-6-4-3-5-7-18/h3-7,16-17,19H,8-15H2,1-2H3,(H,21,24)/t16-,17-,19-/m1/s1
InChIKeyJIMRJTFPNJQZAH-ZHALLVOQSA-N
XLogP2.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide with MolForge

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Related Compounds

2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 120704332
1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 129423731
4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 126426505
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(2-phenylethyl)piperidine-1-carboxamide
CID 126449856
N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide
CID 126453520
4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 120565090
4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 120565089
5-oxo-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 136523505
1-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-prop-2-enylurea
CID 95570926
1-[[(2S)-oxolan-2-yl]methyl]-3-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 95320670
N'-methyl-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119145109
N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
CID 75369445

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of (2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide (CID 100844139) is (2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for (2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide is C[C@@H]1CN(C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide?
The InChIKey is JIMRJTFPNJQZAH-ZHALLVOQSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16-13-23(14-17(2)25-16)20(24)21-12-19-9-11-22(15-19)10-8-18-6-4-3-5-7-18/h3-7,16-17,19H,8-15H2,1-2H3,(H,21,24)/t16-,17-,19-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide?
(2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 100844139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).