(3S)-3-ethyl-N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]morpholine-4-carboxamide

C16H23FN2O3 — CID 95968272

IUPAC(3S)-3-ethyl-N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]morpholine-4-carboxamide
SMILESCC[C@H]1COCCN1C(=O)N[C@H](C)c1c(F)cccc1OC
InChIInChI=1S/C16H23FN2O3/c1-4-12-10-22-9-8-19(12)16(20)18-11(2)15-13(17)6-5-7-14(15)21-3/h5-7,11-12H,4,8-10H2,1-3H3,(H,18,20)/t11-,12+/m1/s1
InChIKeyABRGWEJRULZIMB-NEPJUHHUSA-N
MW310.37 g/mol
LogP2.72
Rot. Bonds4

About (3S)-3-ethyl-N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]morpholine-4-carboxamide

(3S)-3-ethyl-N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]morpholine-4-carboxamide (PubChem CID 95968272) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is (3S)-3-ethyl-N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-ethyl-N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]morpholine-4-carboxamide
PubChem CID95968272
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name(3S)-3-ethyl-N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]morpholine-4-carboxamide
SMILESCC[C@H]1COCCN1C(=O)N[C@H](C)c1c(F)cccc1OC
InChIInChI=1S/C16H23FN2O3/c1-4-12-10-22-9-8-19(12)16(20)18-11(2)15-13(17)6-5-7-14(15)21-3/h5-7,11-12H,4,8-10H2,1-3H3,(H,18,20)/t11-,12+/m1/s1
InChIKeyABRGWEJRULZIMB-NEPJUHHUSA-N
XLogP2.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 95968299
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
CID 126783733
(2-amino-6-methoxyphenyl)-(3-ethylmorpholin-4-yl)methanone
CID 81420429
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 99107240
(3R)-3-(dimethylamino)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 96565751
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335125
3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 113416503
1-ethyl-3-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95968273
(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63305374
(1S)-1-[2-(3-ethylmorpholin-4-yl)-6-fluorophenyl]ethanol
CID 78939877
(3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 98871019
(2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335139

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]morpholine-4-carboxamide?
The IUPAC name of (3S)-3-ethyl-N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]morpholine-4-carboxamide (CID 95968272) is (3S)-3-ethyl-N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-ethyl-N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for (3S)-3-ethyl-N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]morpholine-4-carboxamide is CC[C@H]1COCCN1C(=O)N[C@H](C)c1c(F)cccc1OC.
What is the InChIKey of (3S)-3-ethyl-N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]morpholine-4-carboxamide?
The InChIKey is ABRGWEJRULZIMB-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-4-12-10-22-9-8-19(12)16(20)18-11(2)15-13(17)6-5-7-14(15)21-3/h5-7,11-12H,4,8-10H2,1-3H3,(H,18,20)/t11-,12+/m1/s1.
What are the key properties of (3S)-3-ethyl-N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]morpholine-4-carboxamide?
(3S)-3-ethyl-N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]morpholine-4-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 95968272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).