N-[2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]morpholine-4-carboxamide

C16H24FN3O4 — CID 155021513

IUPACN-[2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]morpholine-4-carboxamide
SMILESO=C(NCCNC[C@H](O)COc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C16H24FN3O4/c17-13-1-3-15(4-2-13)24-12-14(21)11-18-5-6-19-16(22)20-7-9-23-10-8-20/h1-4,14,18,21H,5-12H2,(H,19,22)/t14-/m0/s1
InChIKeyHNZCWJLATQQTIL-AWEZNQCLSA-N
MW341.38 g/mol
LogP0.20
Rot. Bonds8

About N-[2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]morpholine-4-carboxamide

N-[2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]morpholine-4-carboxamide (PubChem CID 155021513) has the molecular formula C16H24FN3O4 and a molecular weight of 341.38 g/mol. Its IUPAC name is N-[2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]morpholine-4-carboxamide
PubChem CID155021513
Molecular FormulaC16H24FN3O4
Molecular Weight341.38 g/mol
Exact Mass341.18
IUPAC NameN-[2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]morpholine-4-carboxamide
SMILESO=C(NCCNC[C@H](O)COc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C16H24FN3O4/c17-13-1-3-15(4-2-13)24-12-14(21)11-18-5-6-19-16(22)20-7-9-23-10-8-20/h1-4,14,18,21H,5-12H2,(H,19,22)/t14-/m0/s1
InChIKeyHNZCWJLATQQTIL-AWEZNQCLSA-N
XLogP0.20
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide
CID 155893558
bis(N-[2-[[(2R)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide);oxalic acid
CID 91825958
3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea
CID 83113487
1-[4-[2-hydroxy-3-(3-morpholin-4-ylpropylamino)propoxy]phenoxy]-3-(3-morpholin-4-ylpropylamino)propan-2-ol
CID 19133409
2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenoxy]-1-morpholin-4-ylethanone
CID 67826771
4-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]anilino]-N-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide
CID 10303404
4-[4-[2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]anilino]-N-octylpiperidine-1-carboxamide
CID 10302477
N-[2-(2-hydroxypropylamino)ethyl]morpholine-4-carboxamide
CID 104593900
[1-[2-[[2-hydroxy-3-[4-[2-(2-methylpropoxy)ethoxy]phenoxy]propyl]amino]ethylcarbamoyl]piperidin-4-yl] 2-methylpropanoate
CID 57072379
N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide
CID 60909620
N-[(4-fluorophenyl)methyl]-4-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethoxy]anilino]piperidine-1-carboxamide
CID 10166207
(2S)-1-(4-fluorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 93386645

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]morpholine-4-carboxamide (CID 155021513) is N-[2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]morpholine-4-carboxamide is O=C(NCCNC[C@H](O)COc1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N-[2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]morpholine-4-carboxamide?
The InChIKey is HNZCWJLATQQTIL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24FN3O4/c17-13-1-3-15(4-2-13)24-12-14(21)11-18-5-6-19-16(22)20-7-9-23-10-8-20/h1-4,14,18,21H,5-12H2,(H,19,22)/t14-/m0/s1.
What are the key properties of N-[2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]morpholine-4-carboxamide?
N-[2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]morpholine-4-carboxamide has a molecular weight of 341.38 g/mol, XLogP of 0.20, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 155021513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).