1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea

C17H26FN3O3 — CID 94679072

IUPAC1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea
SMILESC[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H](C)O)cc2F)C[C@H](C)O1
InChIInChI=1S/C17H26FN3O3/c1-11(22)7-19-17(23)20-8-14-4-5-16(15(18)6-14)21-9-12(2)24-13(3)10-21/h4-6,11-13,22H,7-10H2,1-3H3,(H2,19,20,23)/t11-,12-,13+/m1/s1
InChIKeyXIGAWEMXXRNEFL-UPJWGTAASA-N
MW339.41 g/mol
LogP1.62
Rot. Bonds5

About 1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea

1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea (PubChem CID 94679072) has the molecular formula C17H26FN3O3 and a molecular weight of 339.41 g/mol. Its IUPAC name is 1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea
PubChem CID94679072
Molecular FormulaC17H26FN3O3
Molecular Weight339.41 g/mol
Exact Mass339.20
IUPAC Name1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea
SMILESC[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H](C)O)cc2F)C[C@H](C)O1
InChIInChI=1S/C17H26FN3O3/c1-11(22)7-19-17(23)20-8-14-4-5-16(15(18)6-14)21-9-12(2)24-13(3)10-21/h4-6,11-13,22H,7-10H2,1-3H3,(H2,19,20,23)/t11-,12-,13+/m1/s1
InChIKeyXIGAWEMXXRNEFL-UPJWGTAASA-N
XLogP1.62
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea with MolForge

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Related Compounds

1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]urea
CID 55929677
2-chloro-N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]acetamide
CID 96582200
1-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 55921434
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide
CID 60551160
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]cyclobutanecarboxamide
CID 47062619
N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide
CID 94617347
1-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(2-pyridin-2-ylethyl)urea
CID 60546795
5-chloro-N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]furan-2-carboxamide
CID 55877945
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(4-methylphenoxy)propanamide
CID 55877177
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3,4-dimethylbenzamide
CID 55876400
4-carbamothioyl-N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]benzamide
CID 94840333
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 55876538

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea?
The IUPAC name of 1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea (CID 94679072) is 1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea?
The canonical SMILES for 1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea is C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H](C)O)cc2F)C[C@H](C)O1.
What is the InChIKey of 1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea?
The InChIKey is XIGAWEMXXRNEFL-UPJWGTAASA-N. The full InChI is InChI=1S/C17H26FN3O3/c1-11(22)7-19-17(23)20-8-14-4-5-16(15(18)6-14)21-9-12(2)24-13(3)10-21/h4-6,11-13,22H,7-10H2,1-3H3,(H2,19,20,23)/t11-,12-,13+/m1/s1.
What are the key properties of 1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea?
1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea has a molecular weight of 339.41 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea is sourced from PubChem (CID 94679072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).