N-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide

C20H31N3O2 — CID 100842720

IUPACN-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
SMILESC[C@@H]1CN(C[C@H]2CCCN2CC(=O)NCc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C20H31N3O2/c1-16-12-22(13-17(2)25-16)14-19-9-6-10-23(19)15-20(24)21-11-18-7-4-3-5-8-18/h3-5,7-8,16-17,19H,6,9-15H2,1-2H3,(H,21,24)/t16-,17+,19-/m1/s1
InChIKeyBTPCWLLZRNKUMB-ZIFCJYIRSA-N
MW345.49 g/mol
LogP1.88
Rot. Bonds6

About N-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide

N-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide (PubChem CID 100842720) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
PubChem CID100842720
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
SMILESC[C@@H]1CN(C[C@H]2CCCN2CC(=O)NCc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C20H31N3O2/c1-16-12-22(13-17(2)25-16)14-19-9-6-10-23(19)15-20(24)21-11-18-7-4-3-5-8-18/h3-5,7-8,16-17,19H,6,9-15H2,1-2H3,(H,21,24)/t16-,17+,19-/m1/s1
InChIKeyBTPCWLLZRNKUMB-ZIFCJYIRSA-N
XLogP1.88
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 75921586
2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 52506437
N-[2-(4-chlorophenyl)ethyl]-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 86850390
N-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 47810584
N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79547063
2-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 98727445
N-cyclopropyl-2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
CID 95171694
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride
CID 119927076
N-cyclopropyl-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 56799450
2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 94798443
N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249994
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
CID 95349786

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide (CID 100842720) is N-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide is C[C@@H]1CN(C[C@H]2CCCN2CC(=O)NCc2ccccc2)C[C@H](C)O1.
What is the InChIKey of N-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide?
The InChIKey is BTPCWLLZRNKUMB-ZIFCJYIRSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16-12-22(13-17(2)25-16)14-19-9-6-10-23(19)15-20(24)21-11-18-7-4-3-5-8-18/h3-5,7-8,16-17,19H,6,9-15H2,1-2H3,(H,21,24)/t16-,17+,19-/m1/s1.
What are the key properties of N-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide?
N-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide has a molecular weight of 345.49 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 100842720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).