(2R,3S)-2-[4-(4-fluorophenyl)phenyl]-N,N,3-trimethyl-4-morpholin-4-yl-4-oxobutanamide

C23H27FN2O3 — CID 23647140

IUPAC(2R,3S)-2-[4-(4-fluorophenyl)phenyl]-N,N,3-trimethyl-4-morpholin-4-yl-4-oxobutanamide
SMILESC[C@H](C(=O)N1CCOCC1)[C@@H](C(=O)N(C)C)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H27FN2O3/c1-16(22(27)26-12-14-29-15-13-26)21(23(28)25(2)3)19-6-4-17(5-7-19)18-8-10-20(24)11-9-18/h4-11,16,21H,12-15H2,1-3H3/t16-,21+/m0/s1
InChIKeyOVGMITBLJIDRBE-HRAATJIYSA-N
MW398.48 g/mol
LogP3.16
Rot. Bonds5

About (2R,3S)-2-[4-(4-fluorophenyl)phenyl]-N,N,3-trimethyl-4-morpholin-4-yl-4-oxobutanamide

(2R,3S)-2-[4-(4-fluorophenyl)phenyl]-N,N,3-trimethyl-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 23647140) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is (2R,3S)-2-[4-(4-fluorophenyl)phenyl]-N,N,3-trimethyl-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound Name(2R,3S)-2-[4-(4-fluorophenyl)phenyl]-N,N,3-trimethyl-4-morpholin-4-yl-4-oxobutanamide
PubChem CID23647140
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name(2R,3S)-2-[4-(4-fluorophenyl)phenyl]-N,N,3-trimethyl-4-morpholin-4-yl-4-oxobutanamide
SMILESC[C@H](C(=O)N1CCOCC1)[C@@H](C(=O)N(C)C)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H27FN2O3/c1-16(22(27)26-12-14-29-15-13-26)21(23(28)25(2)3)19-6-4-17(5-7-19)18-8-10-20(24)11-9-18/h4-11,16,21H,12-15H2,1-3H3/t16-,21+/m0/s1
InChIKeyOVGMITBLJIDRBE-HRAATJIYSA-N
XLogP3.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[4-(4-fluorophenyl)phenyl]-N,N,3-trimethyl-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of (2R,3S)-2-[4-(4-fluorophenyl)phenyl]-N,N,3-trimethyl-4-morpholin-4-yl-4-oxobutanamide (CID 23647140) is (2R,3S)-2-[4-(4-fluorophenyl)phenyl]-N,N,3-trimethyl-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for (2R,3S)-2-[4-(4-fluorophenyl)phenyl]-N,N,3-trimethyl-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for (2R,3S)-2-[4-(4-fluorophenyl)phenyl]-N,N,3-trimethyl-4-morpholin-4-yl-4-oxobutanamide is C[C@H](C(=O)N1CCOCC1)[C@@H](C(=O)N(C)C)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of (2R,3S)-2-[4-(4-fluorophenyl)phenyl]-N,N,3-trimethyl-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is OVGMITBLJIDRBE-HRAATJIYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-16(22(27)26-12-14-29-15-13-26)21(23(28)25(2)3)19-6-4-17(5-7-19)18-8-10-20(24)11-9-18/h4-11,16,21H,12-15H2,1-3H3/t16-,21+/m0/s1.
What are the key properties of (2R,3S)-2-[4-(4-fluorophenyl)phenyl]-N,N,3-trimethyl-4-morpholin-4-yl-4-oxobutanamide?
(2R,3S)-2-[4-(4-fluorophenyl)phenyl]-N,N,3-trimethyl-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 398.48 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[4-(4-fluorophenyl)phenyl]-N,N,3-trimethyl-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 23647140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).