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

C20H30FN3O2 — CID 52506437

IUPAC2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESC[C@@H]1CN(C[C@@H]2CCCN2CC(=O)NCc2ccccc2F)C[C@@H](C)O1
InChIInChI=1S/C20H30FN3O2/c1-15-11-23(12-16(2)26-15)13-18-7-5-9-24(18)14-20(25)22-10-17-6-3-4-8-19(17)21/h3-4,6,8,15-16,18H,5,7,9-14H2,1-2H3,(H,22,25)/t15-,16-,18+/m1/s1
InChIKeyFXPWDYIXZKEGJR-NUJGCVRESA-N
MW363.48 g/mol
LogP2.02
Rot. Bonds6

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

2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 52506437) has the molecular formula C20H30FN3O2 and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID52506437
Molecular FormulaC20H30FN3O2
Molecular Weight363.48 g/mol
Exact Mass363.23
IUPAC Name2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESC[C@@H]1CN(C[C@@H]2CCCN2CC(=O)NCc2ccccc2F)C[C@@H](C)O1
InChIInChI=1S/C20H30FN3O2/c1-15-11-23(12-16(2)26-15)13-18-7-5-9-24(18)14-20(25)22-10-17-6-3-4-8-19(17)21/h3-4,6,8,15-16,18H,5,7,9-14H2,1-2H3,(H,22,25)/t15-,16-,18+/m1/s1
InChIKeyFXPWDYIXZKEGJR-NUJGCVRESA-N
XLogP2.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide with MolForge

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Related Compounds

N-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
CID 100842720
2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 75921586
2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 94798443
N-[2-(4-chlorophenyl)ethyl]-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 86850390
2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119916023
N-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 47810584
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
N-cyclopropyl-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 56799450
2-(2,4-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 71877586
2-[(2R)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 124730258
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
CID 17428154

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide (CID 52506437) is 2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide is C[C@@H]1CN(C[C@@H]2CCCN2CC(=O)NCc2ccccc2F)C[C@@H](C)O1.
What is the InChIKey of 2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is FXPWDYIXZKEGJR-NUJGCVRESA-N. The full InChI is InChI=1S/C20H30FN3O2/c1-15-11-23(12-16(2)26-15)13-18-7-5-9-24(18)14-20(25)22-10-17-6-3-4-8-19(17)21/h3-4,6,8,15-16,18H,5,7,9-14H2,1-2H3,(H,22,25)/t15-,16-,18+/m1/s1.
What are the key properties of 2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide?
2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 363.48 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 52506437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).