(2S,3S)-N-(3-ethoxypropyl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide

C17H23FN2O4 — CID 95739962

IUPAC(2S,3S)-N-(3-ethoxypropyl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCCOCCCNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1
InChIInChI=1S/C17H23FN2O4/c1-3-23-9-5-8-19-17(22)16-15(20(2)14(21)11-24-16)12-6-4-7-13(18)10-12/h4,6-7,10,15-16H,3,5,8-9,11H2,1-2H3,(H,19,22)/t15-,16-/m0/s1
InChIKeyUBEGWSCWENJQBS-HOTGVXAUSA-N
MW338.38 g/mol
LogP1.27
Rot. Bonds7

About (2S,3S)-N-(3-ethoxypropyl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide

(2S,3S)-N-(3-ethoxypropyl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide (PubChem CID 95739962) has the molecular formula C17H23FN2O4 and a molecular weight of 338.38 g/mol. Its IUPAC name is (2S,3S)-N-(3-ethoxypropyl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(3-ethoxypropyl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
PubChem CID95739962
Molecular FormulaC17H23FN2O4
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name(2S,3S)-N-(3-ethoxypropyl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCCOCCCNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1
InChIInChI=1S/C17H23FN2O4/c1-3-23-9-5-8-19-17(22)16-15(20(2)14(21)11-24-16)12-6-4-7-13(18)10-12/h4,6-7,10,15-16H,3,5,8-9,11H2,1-2H3,(H,19,22)/t15-,16-/m0/s1
InChIKeyUBEGWSCWENJQBS-HOTGVXAUSA-N
XLogP1.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,3S)-N-(3-ethoxypropyl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-fluorophenyl)-N-(3-methoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689508
(2S,3R)-N-butyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739924
3-(3-fluorophenyl)-N-(3-hydroxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689506
(2S,3S)-3-(3-fluorophenyl)-N-(3-hydroxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739961
3-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689376
(2R,3R)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739930
(2S,3S)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739933
4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide
CID 119039713
N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 56730602
(2R,3R)-3-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457503
(2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
CID 95739882
N-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689485

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(3-ethoxypropyl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3S)-N-(3-ethoxypropyl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide (CID 95739962) is (2S,3S)-N-(3-ethoxypropyl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3S)-N-(3-ethoxypropyl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3S)-N-(3-ethoxypropyl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide is CCOCCCNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1.
What is the InChIKey of (2S,3S)-N-(3-ethoxypropyl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
The InChIKey is UBEGWSCWENJQBS-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H23FN2O4/c1-3-23-9-5-8-19-17(22)16-15(20(2)14(21)11-24-16)12-6-4-7-13(18)10-12/h4,6-7,10,15-16H,3,5,8-9,11H2,1-2H3,(H,19,22)/t15-,16-/m0/s1.
What are the key properties of (2S,3S)-N-(3-ethoxypropyl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide?
(2S,3S)-N-(3-ethoxypropyl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(3-ethoxypropyl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 95739962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).