(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmorpholine-3-carboxamide

C14H19FN2O3 — CID 124513193

IUPAC(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmorpholine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)[C@@H]2COCCN2)cc1F
InChIInChI=1S/C14H19FN2O3/c1-17(14(18)12-9-20-6-5-16-12)8-10-3-4-13(19-2)11(15)7-10/h3-4,7,12,16H,5-6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyQZQLUXPQBXPBCZ-LBPRGKRZSA-N
MW282.31 g/mol
LogP0.78
Rot. Bonds4

About (3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmorpholine-3-carboxamide

(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmorpholine-3-carboxamide (PubChem CID 124513193) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is (3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmorpholine-3-carboxamide
PubChem CID124513193
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmorpholine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)[C@@H]2COCCN2)cc1F
InChIInChI=1S/C14H19FN2O3/c1-17(14(18)12-9-20-6-5-16-12)8-10-3-4-13(19-2)11(15)7-10/h3-4,7,12,16H,5-6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyQZQLUXPQBXPBCZ-LBPRGKRZSA-N
XLogP0.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82909471
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 61215363
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride
CID 119690480
(3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone
CID 116576254
N-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 115177667
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81125207
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60710815
(2S)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808185
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
(2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717254
N-methyl-N-[(2-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119681680
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 60962824

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of (3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmorpholine-3-carboxamide (CID 124513193) is (3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for (3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmorpholine-3-carboxamide is COc1ccc(CN(C)C(=O)[C@@H]2COCCN2)cc1F.
What is the InChIKey of (3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is QZQLUXPQBXPBCZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-17(14(18)12-9-20-6-5-16-12)8-10-3-4-13(19-2)11(15)7-10/h3-4,7,12,16H,5-6,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmorpholine-3-carboxamide?
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 124513193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).