(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide

C17H25FN2O2 — CID 26493747

IUPAC(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@@H]1CN([C@@H](C)C(=O)NCCc2ccc(F)cc2)C[C@H](C)O1
InChIInChI=1S/C17H25FN2O2/c1-12-10-20(11-13(2)22-12)14(3)17(21)19-9-8-15-4-6-16(18)7-5-15/h4-7,12-14H,8-11H2,1-3H3,(H,19,21)/t12-,13+,14-/m0/s1
InChIKeyPLZQSARLABPFQQ-MJBXVCDLSA-N
MW308.40 g/mol
LogP1.98
Rot. Bonds5

About (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide

(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 26493747) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID26493747
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESC[C@@H]1CN([C@@H](C)C(=O)NCCc2ccc(F)cc2)C[C@H](C)O1
InChIInChI=1S/C17H25FN2O2/c1-12-10-20(11-13(2)22-12)14(3)17(21)19-9-8-15-4-6-16(18)7-5-15/h4-7,12-14H,8-11H2,1-3H3,(H,19,21)/t12-,13+,14-/m0/s1
InChIKeyPLZQSARLABPFQQ-MJBXVCDLSA-N
XLogP1.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 26493747) is (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide is C[C@@H]1CN([C@@H](C)C(=O)NCCc2ccc(F)cc2)C[C@H](C)O1.
What is the InChIKey of (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is PLZQSARLABPFQQ-MJBXVCDLSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-12-10-20(11-13(2)22-12)14(3)17(21)19-9-8-15-4-6-16(18)7-5-15/h4-7,12-14H,8-11H2,1-3H3,(H,19,21)/t12-,13+,14-/m0/s1.
What are the key properties of (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide?
(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 308.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 26493747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).